N-pentan-2-yl-1-propylpyrazol-4-amine

C11H21N3 — CID 115921377

IUPACN-pentan-2-yl-1-propylpyrazol-4-amine
SMILESCCCC(C)Nc1cnn(CCC)c1
InChIInChI=1S/C11H21N3/c1-4-6-10(3)13-11-8-12-14(9-11)7-5-2/h8-10,13H,4-7H2,1-3H3
InChIKeyVFEYFXFUNBNAHZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.89
Rot. Bonds6

About N-pentan-2-yl-1-propylpyrazol-4-amine

N-pentan-2-yl-1-propylpyrazol-4-amine (PubChem CID 115921377) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-pentan-2-yl-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-pentan-2-yl-1-propylpyrazol-4-amine
PubChem CID115921377
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-pentan-2-yl-1-propylpyrazol-4-amine
SMILESCCCC(C)Nc1cnn(CCC)c1
InChIInChI=1S/C11H21N3/c1-4-6-10(3)13-11-8-12-14(9-11)7-5-2/h8-10,13H,4-7H2,1-3H3
InChIKeyVFEYFXFUNBNAHZ-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
CID 97338517
2-[4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
CID 75446840
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558
N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
CID 115921396
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1-propylpyrazol-4-amine?
The IUPAC name of N-pentan-2-yl-1-propylpyrazol-4-amine (CID 115921377) is N-pentan-2-yl-1-propylpyrazol-4-amine.
What is the SMILES notation for N-pentan-2-yl-1-propylpyrazol-4-amine?
The canonical SMILES for N-pentan-2-yl-1-propylpyrazol-4-amine is CCCC(C)Nc1cnn(CCC)c1.
What is the InChIKey of N-pentan-2-yl-1-propylpyrazol-4-amine?
The InChIKey is VFEYFXFUNBNAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-6-10(3)13-11-8-12-14(9-11)7-5-2/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-pentan-2-yl-1-propylpyrazol-4-amine?
N-pentan-2-yl-1-propylpyrazol-4-amine has a molecular weight of 195.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1-propylpyrazol-4-amine is sourced from PubChem (CID 115921377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).