2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide

C17H21ClN4O3 — CID 99981916

IUPAC2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide
SMILESC[C@@H](O)c1cc2n(n1)CCN(Cc1cc(Cl)ccc1OCC(N)=O)C2
InChIInChI=1S/C17H21ClN4O3/c1-11(23)15-7-14-9-21(4-5-22(14)20-15)8-12-6-13(18)2-3-16(12)25-10-17(19)24/h2-3,6-7,11,23H,4-5,8-10H2,1H3,(H2,19,24)/t11-/m1/s1
InChIKeyVWHLHIAUGPHIHY-LLVKDONJSA-N
MW364.83 g/mol
LogP1.47
Rot. Bonds6

About 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide

2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide (PubChem CID 99981916) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide
PubChem CID99981916
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide
SMILESC[C@@H](O)c1cc2n(n1)CCN(Cc1cc(Cl)ccc1OCC(N)=O)C2
InChIInChI=1S/C17H21ClN4O3/c1-11(23)15-7-14-9-21(4-5-22(14)20-15)8-12-6-13(18)2-3-16(12)25-10-17(19)24/h2-3,6-7,11,23H,4-5,8-10H2,1H3,(H2,19,24)/t11-/m1/s1
InChIKeyVWHLHIAUGPHIHY-LLVKDONJSA-N
XLogP1.47
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91793001
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 99998762
1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91778778
N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 99971957
2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 56881232
2-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 99978225
2-[4-chloro-2-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 99959538
4-[3-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propoxy]benzamide
CID 99976509
3-[4-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-3-oxopiperazin-1-yl]propanamide;hydrochloride
CID 68910714
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99977570
3-amino-1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119843729
5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid
CID 91766747

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide (CID 99981916) is 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide is C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(Cl)ccc1OCC(N)=O)C2.
What is the InChIKey of 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide?
The InChIKey is VWHLHIAUGPHIHY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11(23)15-7-14-9-21(4-5-22(14)20-15)8-12-6-13(18)2-3-16(12)25-10-17(19)24/h2-3,6-7,11,23H,4-5,8-10H2,1H3,(H2,19,24)/t11-/m1/s1.
What are the key properties of 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide?
2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide has a molecular weight of 364.83 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 99981916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).