2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine

C10H12N4 — CID 115017562

IUPAC2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
SMILESCc1[nH]ncc1Nc1ccccc1N
InChIInChI=1S/C10H12N4/c1-7-10(6-12-14-7)13-9-5-3-2-4-8(9)11/h2-6,13H,11H2,1H3,(H,12,14)
InChIKeyMKDMJKVMQHSDBI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.04
Rot. Bonds2

About 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine

2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine (PubChem CID 115017562) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
PubChem CID115017562
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
SMILESCc1[nH]ncc1Nc1ccccc1N
InChIInChI=1S/C10H12N4/c1-7-10(6-12-14-7)13-9-5-3-2-4-8(9)11/h2-6,13H,11H2,1H3,(H,12,14)
InChIKeyMKDMJKVMQHSDBI-UHFFFAOYSA-N
XLogP2.04
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-1H-pyrazol-4-amine
CID 121021
2-(1H-pyrazol-1-yl)aniline
CID 2779710
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-(5-phenyl-1H-pyrazol-4-yl)-1,4-diazepane
CID 142601325
Pyrazole, 4-(ethylamino)-1-phenyl-
CID 205181
Pyrazole, 4-(isopropylamino)-1-phenyl-
CID 205182
Pyrazole, 4-(methylamino)-1-phenyl-
CID 209324
Pyrazole, 3-methyl-4-(methylamino)-1-phenyl-
CID 209325
1-Phenyl-5-propyl-pyrazole
CID 14003887
2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
CID 19626212
3-methyl-1-phenyl-1H-pyrazol-4-amine
CID 13757672
3-(pyridin-2-yl)-1H-pyrazol-4-amine
CID 59376304

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine (CID 115017562) is 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine is Cc1[nH]ncc1Nc1ccccc1N.
What is the InChIKey of 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine?
The InChIKey is MKDMJKVMQHSDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-10(6-12-14-7)13-9-5-3-2-4-8(9)11/h2-6,13H,11H2,1H3,(H,12,14).
What are the key properties of 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine?
2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine has a molecular weight of 188.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 115017562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).