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

C13H22ClN5 — CID 126965948

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ccc(CNCc2cc(C)nn2C)n1.Cl
InChIInChI=1S/C13H21N5.ClH/c1-4-6-18-7-5-12(16-18)9-14-10-13-8-11(2)15-17(13)3;/h5,7-8,14H,4,6,9-10H2,1-3H3;1H
InChIKeyKVCLUYUVEQNJBI-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.05
Rot. Bonds6

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 126965948) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID126965948
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
SMILESCCCn1ccc(CNCc2cc(C)nn2C)n1.Cl
InChIInChI=1S/C13H21N5.ClH/c1-4-6-18-7-5-12(16-18)9-14-10-13-8-11(2)15-17(13)3;/h5,7-8,14H,4,6,9-10H2,1-3H3;1H
InChIKeyKVCLUYUVEQNJBI-UHFFFAOYSA-N
XLogP2.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
CID 126968063
4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride
CID 126964545
N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966916
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895860
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126966462
2-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166769
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
CID 122168170
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965951
(1-propylpyrazol-3-yl)methanamine
CID 19576818

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride (CID 126965948) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride is CCCn1ccc(CNCc2cc(C)nn2C)n1.Cl.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is KVCLUYUVEQNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5.ClH/c1-4-6-18-7-5-12(16-18)9-14-10-13-8-11(2)15-17(13)3;/h5,7-8,14H,4,6,9-10H2,1-3H3;1H.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 283.81 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 126965948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).