N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide

C16H21ClN4O2 — CID 119124142

IUPACN-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(C)Cn1cccn1
InChIInChI=1S/C16H21ClN4O2/c1-12(11-21-9-3-7-19-21)18-8-6-16(22)20-14-10-13(17)4-5-15(14)23-2/h3-5,7,9-10,12,18H,6,8,11H2,1-2H3,(H,20,22)
InChIKeyHJHNNDJRNOAIHA-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.55
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide (PubChem CID 119124142) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
PubChem CID119124142
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(C)Cn1cccn1
InChIInChI=1S/C16H21ClN4O2/c1-12(11-21-9-3-7-19-21)18-8-6-16(22)20-14-10-13(17)4-5-15(14)23-2/h3-5,7,9-10,12,18H,6,8,11H2,1-2H3,(H,20,22)
InChIKeyHJHNNDJRNOAIHA-UHFFFAOYSA-N
XLogP2.55
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]propanamide
CID 99842742
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]propanamide
CID 40812110
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
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CID 43816419
3-(5-chloro-2-methoxyanilino)-N-(1-methylpyrazol-3-yl)propanamide
CID 51096653
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CID 776663
N-(5-bromo-2-methoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47354774
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
CID 71981389
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide (CID 119124142) is N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide is COc1ccc(Cl)cc1NC(=O)CCNC(C)Cn1cccn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
The InChIKey is HJHNNDJRNOAIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-12(11-21-9-3-7-19-21)18-8-6-16(22)20-14-10-13(17)4-5-15(14)23-2/h3-5,7,9-10,12,18H,6,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide has a molecular weight of 336.82 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 119124142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).