2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide

C16H21N5O3 — CID 95132885

IUPAC2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESC[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C16H21N5O3/c1-11(2-3-12-4-6-14(22)7-5-12)19-16(24)20-13-8-18-21(9-13)10-15(17)23/h4-9,11,22H,2-3,10H2,1H3,(H2,17,23)(H2,19,20,24)/t11-/m1/s1
InChIKeyLCMWOJSFKUQEPZ-LLVKDONJSA-N
MW331.38 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide

2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 95132885) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID95132885
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESC[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C16H21N5O3/c1-11(2-3-12-4-6-14(22)7-5-12)19-16(24)20-13-8-18-21(9-13)10-15(17)23/h4-9,11,22H,2-3,10H2,1H3,(H2,17,23)(H2,19,20,24)/t11-/m1/s1
InChIKeyLCMWOJSFKUQEPZ-LLVKDONJSA-N
XLogP1.22
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]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

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
CID 55698400
5-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylpentanamide
CID 104683948
6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
CID 65290605
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
CID 168974018
2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132232
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974121
2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
CID 43695320

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide (CID 95132885) is 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide is C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is LCMWOJSFKUQEPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11(2-3-12-4-6-14(22)7-5-12)19-16(24)20-13-8-18-21(9-13)10-15(17)23/h4-9,11,22H,2-3,10H2,1H3,(H2,17,23)(H2,19,20,24)/t11-/m1/s1.
What are the key properties of 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide?
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 95132885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).