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

C13H22ClN5 — CID 126965152

IUPAC1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(CNc2cnn(CCC)c2)cn1.Cl
InChIInChI=1S/C13H21N5.ClH/c1-3-5-17-10-12(8-15-17)7-14-13-9-16-18(11-13)6-4-2;/h8-11,14H,3-7H2,1-2H3;1H
InChIKeyIDZRRJPENAIYKD-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.93
Rot. Bonds7

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

1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126965152) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126965152
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCCn1cc(CNc2cnn(CCC)c2)cn1.Cl
InChIInChI=1S/C13H21N5.ClH/c1-3-5-17-10-12(8-15-17)7-14-13-9-16-18(11-13)6-4-2;/h8-11,14H,3-7H2,1-2H3;1H
InChIKeyIDZRRJPENAIYKD-UHFFFAOYSA-N
XLogP2.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 126966593
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1,4-dimethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964967
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
4-nitro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571418
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126965152) is 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is CCCn1cc(CNc2cnn(CCC)c2)cn1.Cl.
What is the InChIKey of 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is IDZRRJPENAIYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5.ClH/c1-3-5-17-10-12(8-15-17)7-14-13-9-16-18(11-13)6-4-2;/h8-11,14H,3-7H2,1-2H3;1H.
What are the key properties of 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 283.81 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).