N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride

C15H24ClN5 — CID 126966593

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cnn(C3CCCC3)c2)cn1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-2-7-19-12-14(10-17-19)16-8-13-9-18-20(11-13)15-5-3-4-6-15;/h9-12,15-16H,2-8H2,1H3;1H
InChIKeyJTLLHZNDGMWVFP-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.64
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride

N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride (PubChem CID 126966593) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
PubChem CID126966593
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cnn(C3CCCC3)c2)cn1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-2-7-19-12-14(10-17-19)16-8-13-9-18-20(11-13)15-5-3-4-6-15;/h9-12,15-16H,2-8H2,1H3;1H
InChIKeyJTLLHZNDGMWVFP-UHFFFAOYSA-N
XLogP3.64
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967855
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
1-cyclopentyl-N-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 122168086
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]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966380
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride (CID 126966593) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride is CCCn1cc(NCc2cnn(C3CCCC3)c2)cn1.Cl.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
The InChIKey is JTLLHZNDGMWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.ClH/c1-2-7-19-12-14(10-17-19)16-8-13-9-18-20(11-13)15-5-3-4-6-15;/h9-12,15-16H,2-8H2,1H3;1H.
What are the key properties of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride has a molecular weight of 309.85 g/mol, XLogP of 3.64, 6 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-propylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126966593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).