1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine

C12H19N5 — CID 97309859

IUPAC1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
SMILESCCCn1cc(N[C@@H](C)Cn2cccn2)cn1
InChIInChI=1S/C12H19N5/c1-3-6-16-10-12(8-14-16)15-11(2)9-17-7-4-5-13-17/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3/t11-/m0/s1
InChIKeyUNUFWBZUZCUNNR-NSHDSACASA-N
MW233.32 g/mol
LogP1.99
Rot. Bonds6

About 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine

1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine (PubChem CID 97309859) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
PubChem CID97309859
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
SMILESCCCn1cc(N[C@@H](C)Cn2cccn2)cn1
InChIInChI=1S/C12H19N5/c1-3-6-16-10-12(8-14-16)15-11(2)9-17-7-4-5-13-17/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3/t11-/m0/s1
InChIKeyUNUFWBZUZCUNNR-NSHDSACASA-N
XLogP1.99
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558
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-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
2-[4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
CID 75446840
2-[(4S)-4-[(1-propylpyrazol-4-yl)amino]pentyl]isoindole-1,3-dione
CID 97338517
N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
CID 115921396
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
CID 86791923

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine?
The IUPAC name of 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine (CID 97309859) is 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine.
What is the SMILES notation for 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine?
The canonical SMILES for 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine is CCCn1cc(N[C@@H](C)Cn2cccn2)cn1.
What is the InChIKey of 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine?
The InChIKey is UNUFWBZUZCUNNR-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N5/c1-3-6-16-10-12(8-14-16)15-11(2)9-17-7-4-5-13-17/h4-5,7-8,10-11,15H,3,6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine?
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine has a molecular weight of 233.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine is sourced from PubChem (CID 97309859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).