N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide

C16H22N4O — CID 97085171

IUPACN-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN[C@@H](C)c1ccccc1-n1cccn1
InChIInChI=1S/C16H22N4O/c1-12(2)19-16(21)11-17-13(3)14-7-4-5-8-15(14)20-10-6-9-18-20/h4-10,12-13,17H,11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeySASNXPXRHLARRP-ZDUSSCGKSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds6

About N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide

N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide (PubChem CID 97085171) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
PubChem CID97085171
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN[C@@H](C)c1ccccc1-n1cccn1
InChIInChI=1S/C16H22N4O/c1-12(2)19-16(21)11-17-13(3)14-7-4-5-8-15(14)20-10-6-9-18-20/h4-10,12-13,17H,11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeySASNXPXRHLARRP-ZDUSSCGKSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43284732
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CID 122065751
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 71862790
3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
1-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322482
3-(oxazinan-2-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 46993873
3-[(2R)-oxolan-2-yl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]propanamide
CID 166302824
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N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
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2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 91837818
1-[(1S,2R)-2-hydroxycyclohexyl]-3-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]urea
CID 124777004
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide (CID 97085171) is N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide is CC(C)NC(=O)CN[C@@H](C)c1ccccc1-n1cccn1.
What is the InChIKey of N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide?
The InChIKey is SASNXPXRHLARRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)19-16(21)11-17-13(3)14-7-4-5-8-15(14)20-10-6-9-18-20/h4-10,12-13,17H,11H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide?
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 97085171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).