N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine

C13H23N3 — CID 115921376

IUPACN-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC(C)CC2CCC2)cn1
InChIInChI=1S/C13H23N3/c1-3-7-16-10-13(9-14-16)15-11(2)8-12-5-4-6-12/h9-12,15H,3-8H2,1-2H3
InChIKeyXLMXPHRGVTZPSL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.28
Rot. Bonds6

About N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine

N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine (PubChem CID 115921376) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
PubChem CID115921376
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC(C)CC2CCC2)cn1
InChIInChI=1S/C13H23N3/c1-3-7-16-10-13(9-14-16)15-11(2)8-12-5-4-6-12/h9-12,15H,3-8H2,1-2H3
InChIKeyXLMXPHRGVTZPSL-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
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-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
CID 79540648
N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
CID 115921396
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
1-(2-methoxyethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]pyrazol-4-amine
CID 43728912
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine?
The IUPAC name of N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine (CID 115921376) is N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine.
What is the SMILES notation for N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine?
The canonical SMILES for N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine is CCCn1cc(NC(C)CC2CCC2)cn1.
What is the InChIKey of N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine?
The InChIKey is XLMXPHRGVTZPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-7-16-10-13(9-14-16)15-11(2)8-12-5-4-6-12/h9-12,15H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine?
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 115921376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).