N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride

C14H24ClN5 — CID 126967328

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
SMILESCc1c(CNCc2cc(C(C)C)nn2C)cnn1C.Cl
InChIInChI=1S/C14H23N5.ClH/c1-10(2)14-6-13(19(5)17-14)9-15-7-12-8-16-18(4)11(12)3;/h6,8,10,15H,7,9H2,1-5H3;1H
InChIKeyTWRRNKPXYIZJAP-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.30
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride (PubChem CID 126967328) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
PubChem CID126967328
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
SMILESCc1c(CNCc2cc(C(C)C)nn2C)cnn1C.Cl
InChIInChI=1S/C14H23N5.ClH/c1-10(2)14-6-13(19(5)17-14)9-15-7-12-8-16-18(4)11(12)3;/h6,8,10,15H,7,9H2,1-5H3;1H
InChIKeyTWRRNKPXYIZJAP-UHFFFAOYSA-N
XLogP2.30
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122167165
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126964300
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167004
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126967265
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965951
1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
CID 122168378
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride (CID 126967328) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride is Cc1c(CNCc2cc(C(C)C)nn2C)cnn1C.Cl.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
The InChIKey is TWRRNKPXYIZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.ClH/c1-10(2)14-6-13(19(5)17-14)9-15-7-12-8-16-18(4)11(12)3;/h6,8,10,15H,7,9H2,1-5H3;1H.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 126967328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).