(2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide

C17H21ClN6O2 — CID 168936285

IUPAC(2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide
SMILESN[C@H](C(=O)Nc1cnn(Cc2cc(Cl)n[nH]c2=O)c1)C(C1CC1)C1CC1
InChIInChI=1S/C17H21ClN6O2/c18-13-5-11(16(25)23-22-13)7-24-8-12(6-20-24)21-17(26)15(19)14(9-1-2-9)10-3-4-10/h5-6,8-10,14-15H,1-4,7,19H2,(H,21,26)(H,23,25)/t15-/m0/s1
InChIKeyDNEITUIBUUHMSX-HNNXBMFYSA-N
MW376.85 g/mol
LogP1.37
Rot. Bonds7

About (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide

(2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide (PubChem CID 168936285) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide
PubChem CID168936285
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name(2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide
SMILESN[C@H](C(=O)Nc1cnn(Cc2cc(Cl)n[nH]c2=O)c1)C(C1CC1)C1CC1
InChIInChI=1S/C17H21ClN6O2/c18-13-5-11(16(25)23-22-13)7-24-8-12(6-20-24)21-17(26)15(19)14(9-1-2-9)10-3-4-10/h5-6,8-10,14-15H,1-4,7,19H2,(H,21,26)(H,23,25)/t15-/m0/s1
InChIKeyDNEITUIBUUHMSX-HNNXBMFYSA-N
XLogP1.37
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 168935661
cyclopropyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]pyrazol-4-yl]amino]propan-2-yl]carbamate
CID 168936179
[1,1-dicyclopropyl-3-[[1-[(6-cyclopropyl-3-methoxypyridazin-4-yl)methyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]peroxy-propan-2-ylazanide;tungsten
CID 168935944
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
CID 154944123
(2S)-2-amino-3,3-dicyclopropyl-N-(4-iodophenyl)propanamide
CID 149303159
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
(2S)-2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 119333433
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510337
(2S)-2-amino-N-(1-ethylpyrazol-4-yl)-3-methylpentanamide
CID 61172285
1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
CID 35592061
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535034

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide (CID 168936285) is (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide is N[C@H](C(=O)Nc1cnn(Cc2cc(Cl)n[nH]c2=O)c1)C(C1CC1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide?
The InChIKey is DNEITUIBUUHMSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c18-13-5-11(16(25)23-22-13)7-24-8-12(6-20-24)21-17(26)15(19)14(9-1-2-9)10-3-4-10/h5-6,8-10,14-15H,1-4,7,19H2,(H,21,26)(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide?
(2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide has a molecular weight of 376.85 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[(3-chloro-6-oxo-1H-pyridazin-5-yl)methyl]pyrazol-4-yl]-3,3-dicyclopropylpropanamide is sourced from PubChem (CID 168936285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).