4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine

C9H12N4 — CID 163444411

IUPAC4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1C1=CC=CNC1
InChIInChI=1S/C9H12N4/c1-6-8(9(10)13-12-6)7-3-2-4-11-5-7/h2-4,11H,5H2,1H3,(H3,10,12,13)
InChIKeyBBGZUFKLCQXUEB-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.80
Rot. Bonds1

About 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine

4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 163444411) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine
PubChem CID163444411
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1C1=CC=CNC1
InChIInChI=1S/C9H12N4/c1-6-8(9(10)13-12-6)7-3-2-4-11-5-7/h2-4,11H,5H2,1H3,(H3,10,12,13)
InChIKeyBBGZUFKLCQXUEB-UHFFFAOYSA-N
XLogP0.80
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropen-1-yl)-5-methyl-1H-pyrazol-3-amine
CID 176900304
4-(cyclohexen-1-yl)-5-methyl-1H-pyrazol-3-amine
CID 88978561
4-(2,6-dimethyl-3-pyridinyl)-5-methyl-1H-pyrazol-3-amine
CID 59078635
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
4,5-dimethyl-1H-pyrazol-3-amine
CID 4737029
4-ethyl-5-methyl-1H-pyrazol-3-amine
CID 3159689
5-methyl-4-(4-phenylsulfanylphenyl)-1H-pyrazol-3-amine
CID 19934711
4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol
CID 142528007
1,2-dihydropyridine-3-carbothioamide;ethane
CID 144789972
5-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-pyrazol-3-amine
CID 66768027
4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 53398873
4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
CID 42639134

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine (CID 163444411) is 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1C1=CC=CNC1.
What is the InChIKey of 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is BBGZUFKLCQXUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-8(9(10)13-12-6)7-3-2-4-11-5-7/h2-4,11H,5H2,1H3,(H3,10,12,13).
What are the key properties of 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine?
4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 176.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-3-yl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 163444411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).