1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride

C12H20ClN5 — CID 126964967

IUPAC1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
SMILESCCCn1cc(CNc2c(C)cnn2C)cn1.Cl
InChIInChI=1S/C12H19N5.ClH/c1-4-5-17-9-11(8-15-17)7-13-12-10(2)6-14-16(12)3;/h6,8-9,13H,4-5,7H2,1-3H3;1H
InChIKeyWWEGCTWCGWHAFE-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.37
Rot. Bonds5

About 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride

1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride (PubChem CID 126964967) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
PubChem CID126964967
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
SMILESCCCn1cc(CNc2c(C)cnn2C)cn1.Cl
InChIInChI=1S/C12H19N5.ClH/c1-4-5-17-9-11(8-15-17)7-13-12-10(2)6-14-16(12)3;/h6,8-9,13H,4-5,7H2,1-3H3;1H
InChIKeyWWEGCTWCGWHAFE-UHFFFAOYSA-N
XLogP2.37
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
CID 126964008
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
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-bromo-4,6-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571597
1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166940
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
The IUPAC name of 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride (CID 126964967) is 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
The canonical SMILES for 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride is CCCn1cc(CNc2c(C)cnn2C)cn1.Cl.
What is the InChIKey of 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
The InChIKey is WWEGCTWCGWHAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.ClH/c1-4-5-17-9-11(8-15-17)7-13-12-10(2)6-14-16(12)3;/h6,8-9,13H,4-5,7H2,1-3H3;1H.
What are the key properties of 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride?
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 126964967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).