1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide

C13H16N4O — CID 103959164

IUPAC1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
SMILESCC[C@@H](N)c1ccccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C13H16N4O/c1-2-11(14)10-5-3-4-6-12(10)17-8-9(7-16-17)13(15)18/h3-8,11H,2,14H2,1H3,(H2,15,18)/t11-/m1/s1
InChIKeySFWHKHSTEOEUGT-LLVKDONJSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds4

About 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide

1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide (PubChem CID 103959164) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
PubChem CID103959164
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
SMILESCC[C@@H](N)c1ccccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C13H16N4O/c1-2-11(14)10-5-3-4-6-12(10)17-8-9(7-16-17)13(15)18/h3-8,11H,2,14H2,1H3,(H2,15,18)/t11-/m1/s1
InChIKeySFWHKHSTEOEUGT-LLVKDONJSA-N
XLogP1.38
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
CID 113358878
1-[2-(1-aminoethyl)-5-bromophenyl]pyrazole-4-carboxamide
CID 82976424
1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 64780077
1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide
CID 114862569
1-[2-amino-1-(2-methoxyphenyl)butyl]pyrazole-4-carboxamide
CID 64781614
1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
CID 64780258
1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 112678365
1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 115995461
1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 112678344
1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 64782741
1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide
CID 81166253
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide (CID 103959164) is 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide is CC[C@@H](N)c1ccccc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is SFWHKHSTEOEUGT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11(14)10-5-3-4-6-12(10)17-8-9(7-16-17)13(15)18/h3-8,11H,2,14H2,1H3,(H2,15,18)/t11-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide?
1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 103959164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).