N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide

C16H19N5O2 — CID 87039151

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H19N5O2/c22-15(8-11-21-10-1-9-17-21)18-12-2-4-13(5-3-12)19-16(23)20-14-6-7-14/h1-5,9-10,14H,6-8,11H2,(H,18,22)(H2,19,20,23)
InChIKeyHSDDCNXFJGSZAQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds6

About N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide (PubChem CID 87039151) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
PubChem CID87039151
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H19N5O2/c22-15(8-11-21-10-1-9-17-21)18-12-2-4-13(5-3-12)19-16(23)20-14-6-7-14/h1-5,9-10,14H,6-8,11H2,(H,18,22)(H2,19,20,23)
InChIKeyHSDDCNXFJGSZAQ-UHFFFAOYSA-N
XLogP2.20
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
3-pyrazol-1-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 31816779
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
CID 47175480
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide (CID 87039151) is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is HSDDCNXFJGSZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15(8-11-21-10-1-9-17-21)18-12-2-4-13(5-3-12)19-16(23)20-14-6-7-14/h1-5,9-10,14H,6-8,11H2,(H,18,22)(H2,19,20,23).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 313.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 87039151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).