N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide

C18H20N6O — CID 22267835

IUPACN-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCC(C)Cc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12
InChIInChI=1S/C18H20N6O/c1-11(2)9-16-13(17(25)23-18(19)20)10-22-24(16)15-7-3-6-14-12(15)5-4-8-21-14/h3-8,10-11H,9H2,1-2H3,(H4,19,20,23,25)
InChIKeyDIVCBROXQIKMIH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.03
Rot. Bonds4

About N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide

N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide (PubChem CID 22267835) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide
PubChem CID22267835
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCC(C)Cc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12
InChIInChI=1S/C18H20N6O/c1-11(2)9-16-13(17(25)23-18(19)20)10-22-24(16)15-7-3-6-14-12(15)5-4-8-21-14/h3-8,10-11H,9H2,1-2H3,(H4,19,20,23,25)
InChIKeyDIVCBROXQIKMIH-UHFFFAOYSA-N
XLogP2.03
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267831
N-(diaminomethylidene)-5-(phenylmethoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267867
5-butyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;N-(diaminomethylidene)-5-propyl-1-quinolin-6-ylpyrazole-4-carboxamide
CID 70065674
5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;methanesulfonic acid
CID 172848595
5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate
CID 22267781
1-(2-hydroxyphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361421
ethyl 5-cyano-1-quinolin-5-ylpyrazole-4-carboxylate
CID 134610341
5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide
CID 22267988
5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
1-(2-cyanophenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361413
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
1-(1,3-benzothiazol-2-yl)-N-(diaminomethylidene)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 22267916

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide (CID 22267835) is N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide is CC(C)Cc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12.
What is the InChIKey of N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
The InChIKey is DIVCBROXQIKMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11(2)9-16-13(17(25)23-18(19)20)10-22-24(16)15-7-3-6-14-12(15)5-4-8-21-14/h3-8,10-11H,9H2,1-2H3,(H4,19,20,23,25).
What are the key properties of N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide?
N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide is sourced from PubChem (CID 22267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).