5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

C12H21N3 — CID 103164012

IUPAC5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1c(N)n[nH]c1CC1CCC1
InChIInChI=1S/C12H21N3/c1-8(2)6-10-11(14-15-12(10)13)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15)
InChIKeyGQBSIEVOFXXTCL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.53
Rot. Bonds4

About 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 103164012) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID103164012
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1c(N)n[nH]c1CC1CCC1
InChIInChI=1S/C12H21N3/c1-8(2)6-10-11(14-15-12(10)13)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15)
InChIKeyGQBSIEVOFXXTCL-UHFFFAOYSA-N
XLogP2.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (CID 103164012) is 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is CC(C)Cc1c(N)n[nH]c1CC1CCC1.
What is the InChIKey of 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is GQBSIEVOFXXTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)6-10-11(14-15-12(10)13)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103164012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).