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

C9H12N4 — CID 123495409

IUPAC5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1=CCCN=C1
InChIInChI=1S/C9H12N4/c1-6-8(12-13-9(6)10)7-3-2-4-11-5-7/h3,5H,2,4H2,1H3,(H3,10,12,13)
InChIKeyWCAYKYKSYZUGBP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.16
Rot. Bonds1

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

5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 123495409) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine
PubChem CID123495409
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1=CCCN=C1
InChIInChI=1S/C9H12N4/c1-6-8(12-13-9(6)10)7-3-2-4-11-5-7/h3,5H,2,4H2,1H3,(H3,10,12,13)
InChIKeyWCAYKYKSYZUGBP-UHFFFAOYSA-N
XLogP1.16
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
CID 134224296
5-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
CID 144979719
6-fluoro-5-methyl-4,5-dihydro-1H-indazol-3-amine
CID 148336255
5-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-methyl-1H-pyrazol-3-amine
CID 166894733
4-(cyclohexen-1-yl)-5-methyl-1H-pyrazol-3-amine
CID 88978561
5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
CID 118614865
3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine
CID 122696533
N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine
CID 130336785
6,7-dihydro-1H-indazol-3-amine
CID 132168454
6,7-dihydro-1H-indazol-3-amine;hydrochloride
CID 132168462
N-[5-propan-2-yl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
CID 134286529
4-methanimidoyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 136478395

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine (CID 123495409) is 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1C1=CCCN=C1.
What is the InChIKey of 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is WCAYKYKSYZUGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-8(12-13-9(6)10)7-3-2-4-11-5-7/h3,5H,2,4H2,1H3,(H3,10,12,13).
What are the key properties of 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine?
5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 176.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 123495409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).