N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine

C14H21N5 — CID 122167731

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1cnn(C2CCCC2)c1
InChIInChI=1S/C14H21N5/c1-11-14(10-18(2)17-11)15-7-12-8-16-19(9-12)13-5-3-4-6-13/h8-10,13,15H,3-7H2,1-2H3
InChIKeyFHDUPWMRLJRKMA-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.65
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine

N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 122167731) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID122167731
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1cnn(C2CCCC2)c1
InChIInChI=1S/C14H21N5/c1-11-14(10-18(2)17-11)15-7-12-8-16-19(9-12)13-5-3-4-6-13/h8-10,13,15H,3-7H2,1-2H3
InChIKeyFHDUPWMRLJRKMA-UHFFFAOYSA-N
XLogP2.65
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine
CID 122167733
N-[(1-cyclopentylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966380
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122166471
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine (CID 122167731) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NCc1cnn(C2CCCC2)c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is FHDUPWMRLJRKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-14(10-18(2)17-11)15-7-12-8-16-19(9-12)13-5-3-4-6-13/h8-10,13,15H,3-7H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 122167731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).