N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride

C15H24ClN5 — CID 126966107

IUPACN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCn1cc(CNCc2cnn(C3CCCC3)c2)cn1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-2-19-11-13(9-17-19)7-16-8-14-10-18-20(12-14)15-5-3-4-6-15;/h9-12,15-16H,2-8H2,1H3;1H
InChIKeyHDCJORGGTHWMFB-UHFFFAOYSA-N
MW309.85 g/mol
LogP2.93
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride

N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride (PubChem CID 126966107) 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-(1-ethylpyrazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
PubChem CID126966107
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC NameN-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCn1cc(CNCc2cnn(C3CCCC3)c2)cn1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-2-19-11-13(9-17-19)7-16-8-14-10-18-20(12-14)15-5-3-4-6-15;/h9-12,15-16H,2-8H2,1H3;1H
InChIKeyHDCJORGGTHWMFB-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265
N-[(1-cycloheptylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82930487
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601201
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride (CID 126966107) is N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride is CCn1cc(CNCc2cnn(C3CCCC3)c2)cn1.Cl.
What is the InChIKey of N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride?
The InChIKey is HDCJORGGTHWMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.ClH/c1-2-19-11-13(9-17-19)7-16-8-14-10-18-20(12-14)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-(1-ethylpyrazol-4-yl)methanamine;hydrochloride?
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride has a molecular weight of 309.85 g/mol, XLogP of 2.93, 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-(1-ethylpyrazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 126966107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).