2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride

C12H17ClN4 — CID 115606229

IUPAC2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride
SMILESCCCn1nccc1NCc1cccnc1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-2-8-16-12(5-7-15-16)14-10-11-4-3-6-13-9-11;/h3-7,9,14H,2,8,10H2,1H3;1H
InChIKeyDZHKAVCCIAOUOE-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.72
Rot. Bonds5

About 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride

2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride (PubChem CID 115606229) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride
PubChem CID115606229
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride
SMILESCCCn1nccc1NCc1cccnc1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-2-8-16-12(5-7-15-16)14-10-11-4-3-6-13-9-11;/h3-7,9,14H,2,8,10H2,1H3;1H
InChIKeyDZHKAVCCIAOUOE-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 75442665
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 63977457
N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrazol-3-amine
CID 115606222
2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115606212
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
5-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 104599802
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride (CID 115606229) is 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride is CCCn1nccc1NCc1cccnc1.Cl.
What is the InChIKey of 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride?
The InChIKey is DZHKAVCCIAOUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.ClH/c1-2-8-16-12(5-7-15-16)14-10-11-4-3-6-13-9-11;/h3-7,9,14H,2,8,10H2,1H3;1H.
What are the key properties of 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride?
2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 115606229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).