1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine

C13H21N5 — CID 97342085

IUPAC1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
SMILESCCCn1cc(N[C@H](C)CCn2cccn2)cn1
InChIInChI=1S/C13H21N5/c1-3-7-18-11-13(10-15-18)16-12(2)5-9-17-8-4-6-14-17/h4,6,8,10-12,16H,3,5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyHCVYYQJDGUVGGY-GFCCVEGCSA-N
MW247.35 g/mol
LogP2.38
Rot. Bonds7

About 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine

1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine (PubChem CID 97342085) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
PubChem CID97342085
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
SMILESCCCn1cc(N[C@H](C)CCn2cccn2)cn1
InChIInChI=1S/C13H21N5/c1-3-7-18-11-13(10-15-18)16-12(2)5-9-17-8-4-6-14-17/h4,6,8,10-12,16H,3,5,7,9H2,1-2H3/t12-/m1/s1
InChIKeyHCVYYQJDGUVGGY-GFCCVEGCSA-N
XLogP2.38
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
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
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
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
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine?
The IUPAC name of 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine (CID 97342085) is 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine.
What is the SMILES notation for 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine?
The canonical SMILES for 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine is CCCn1cc(N[C@H](C)CCn2cccn2)cn1.
What is the InChIKey of 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine?
The InChIKey is HCVYYQJDGUVGGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-7-18-11-13(10-15-18)16-12(2)5-9-17-8-4-6-14-17/h4,6,8,10-12,16H,3,5,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine?
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine has a molecular weight of 247.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine is sourced from PubChem (CID 97342085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).