4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine

C12H16N4 — CID 114995960

IUPAC4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine
SMILESCCCc1ccccc1Nc1cn[nH]c1N
InChIInChI=1S/C12H16N4/c1-2-5-9-6-3-4-7-10(9)15-11-8-14-16-12(11)13/h3-4,6-8,15H,2,5H2,1H3,(H3,13,14,16)
InChIKeyCXQMSGVVMWRUCY-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.69
Rot. Bonds4

About 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine

4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine (PubChem CID 114995960) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine
PubChem CID114995960
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine
SMILESCCCc1ccccc1Nc1cn[nH]c1N
InChIInChI=1S/C12H16N4/c1-2-5-9-6-3-4-7-10(9)15-11-8-14-16-12(11)13/h3-4,6-8,15H,2,5H2,1H3,(H3,13,14,16)
InChIKeyCXQMSGVVMWRUCY-UHFFFAOYSA-N
XLogP2.69
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
CID 82236252
5-methyl-N-(2-propylphenyl)-1H-imidazol-2-amine
CID 106567397
4-chloro-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 115468772
4,5-dimethoxy-2-N-(2-propylphenyl)benzene-1,2-diamine
CID 83004444
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80807407
2-(difluoromethyl)-1-N-(2-propylphenyl)benzene-1,4-diamine
CID 63734623
6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine
CID 55143311
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
2,6-dimethyl-4-(2-propylanilino)pyridine-3-carbothioamide
CID 81060217
6-propoxy-2-N-(2-propylphenyl)pyridine-2,5-diamine
CID 63402851
2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
CID 115017562

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine (CID 114995960) is 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine is CCCc1ccccc1Nc1cn[nH]c1N.
What is the InChIKey of 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is CXQMSGVVMWRUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-5-9-6-3-4-7-10(9)15-11-8-14-16-12(11)13/h3-4,6-8,15H,2,5H2,1H3,(H3,13,14,16).
What are the key properties of 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine?
4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114995960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).