5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile

C10H10N6 — CID 11401621

IUPAC5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(N)cc2)n[nH]c1N
InChIInChI=1S/C10H10N6/c11-5-8-9(13)15-16-10(8)14-7-3-1-6(12)2-4-7/h1-4H,12H2,(H4,13,14,15,16)
InChIKeyPYRZTQNQDRAMMW-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.19
Rot. Bonds2

About 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile

5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile (PubChem CID 11401621) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile
PubChem CID11401621
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2ccc(N)cc2)n[nH]c1N
InChIInChI=1S/C10H10N6/c11-5-8-9(13)15-16-10(8)14-7-3-1-6(12)2-4-7/h1-4H,12H2,(H4,13,14,15,16)
InChIKeyPYRZTQNQDRAMMW-UHFFFAOYSA-N
XLogP1.19
TPSA116.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carbonitrile
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5-amino-3-(3,5-dimethoxyanilino)-1H-pyrazole-4-carbonitrile
CID 16742947
5-amino-3-(cyclopropylmethylamino)-1H-pyrazole-4-carbonitrile
CID 102795605
4-N-(1H-indazol-3-yl)benzene-1,4-diamine
CID 142650231
5-amino-3-[(6-chloro-3-pyridinyl)methylamino]-1H-pyrazole-4-carbonitrile
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4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
3-N-(4-aminophenyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
CID 66768481
5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile
CID 162638703
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzonitrile
CID 72714702
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-[4-(4-aminoanilino)phenyl]acetonitrile
CID 62302194

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile (CID 11401621) is 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile is N#Cc1c(Nc2ccc(N)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile?
The InChIKey is PYRZTQNQDRAMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c11-5-8-9(13)15-16-10(8)14-7-3-1-6(12)2-4-7/h1-4H,12H2,(H4,13,14,15,16).
What are the key properties of 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-aminoanilino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 11401621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).