N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine

C9H12N4 — CID 136995812

IUPACN,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
SMILESCNc1c(-c2cc[nH]c2)n[nH]c1C
InChIInChI=1S/C9H12N4/c1-6-8(10-2)9(13-12-6)7-3-4-11-5-7/h3-5,10-11H,1-2H3,(H,12,13)
InChIKeyDHYVSHSOQKIASZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.75
Rot. Bonds2

About N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine

N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine (PubChem CID 136995812) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
PubChem CID136995812
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
SMILESCNc1c(-c2cc[nH]c2)n[nH]c1C
InChIInChI=1S/C9H12N4/c1-6-8(10-2)9(13-12-6)7-3-4-11-5-7/h3-5,10-11H,1-2H3,(H,12,13)
InChIKeyDHYVSHSOQKIASZ-UHFFFAOYSA-N
XLogP1.75
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dimethyl-3-pyridin-4-yl-1H-pyrazol-4-amine
CID 116827006
N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
CID 116827019
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116827020
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826932
N,3,5-trimethyl-1H-pyrazol-4-amine;hydrochloride
CID 56773738
2,4-dimethyl-6-(1H-pyrrol-3-yl)pyrimidin-5-amine
CID 82468666
5-bromo-2-methyl-4-(1H-pyrrol-3-yl)pyrimidine
CID 96590663
4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988755
N-methyl-4-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]aniline
CID 116899068
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine?
The IUPAC name of N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine (CID 136995812) is N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine?
The canonical SMILES for N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine is CNc1c(-c2cc[nH]c2)n[nH]c1C.
What is the InChIKey of N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine?
The InChIKey is DHYVSHSOQKIASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-8(10-2)9(13-12-6)7-3-4-11-5-7/h3-5,10-11H,1-2H3,(H,12,13).
What are the key properties of N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine?
N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine has a molecular weight of 176.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 136995812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).