3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide

C16H20N4O — CID 60927530

IUPAC3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C16H20N4O/c21-16(8-10-17-14-6-7-14)19-15-4-2-13(3-5-15)12-20-11-1-9-18-20/h1-5,9,11,14,17H,6-8,10,12H2,(H,19,21)
InChIKeyAAXAMSFGOJMDJR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds7

About 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide

3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 60927530) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID60927530
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C16H20N4O/c21-16(8-10-17-14-6-7-14)19-15-4-2-13(3-5-15)12-20-11-1-9-18-20/h1-5,9,11,14,17H,6-8,10,12H2,(H,19,21)
InChIKeyAAXAMSFGOJMDJR-UHFFFAOYSA-N
XLogP2.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 60867982
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 60866364
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 60927530) is 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCNC1CC1)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is AAXAMSFGOJMDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(8-10-17-14-6-7-14)19-15-4-2-13(3-5-15)12-20-11-1-9-18-20/h1-5,9,11,14,17H,6-8,10,12H2,(H,19,21).
What are the key properties of 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 60927530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).