N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide

C16H16N6O — CID 22267831

IUPACN-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12
InChIInChI=1S/C16H16N6O/c1-2-13-11(15(23)21-16(17)18)9-20-22(13)14-7-3-6-12-10(14)5-4-8-19-12/h3-9H,2H2,1H3,(H4,17,18,21,23)
InChIKeyDMPMGKQJJZZRCE-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.40
Rot. Bonds3

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

N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide (PubChem CID 22267831) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide
PubChem CID22267831
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12
InChIInChI=1S/C16H16N6O/c1-2-13-11(15(23)21-16(17)18)9-20-22(13)14-7-3-6-12-10(14)5-4-8-19-12/h3-9H,2H2,1H3,(H4,17,18,21,23)
InChIKeyDMPMGKQJJZZRCE-UHFFFAOYSA-N
XLogP1.40
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.40
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-(2-methylpropyl)-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267835
N-(diaminomethylidene)-5-(phenylmethoxymethyl)-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267867
5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate
CID 22267781
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
1-(1,3-benzothiazol-2-yl)-N-(diaminomethylidene)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 22267916
ethyl 5-cyano-1-quinolin-5-ylpyrazole-4-carboxylate
CID 134610341
5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide
CID 22267988
5-(5-propylpyrazol-1-yl)quinoline
CID 139907305
N-(diaminomethylidene)-5-methyl-1-quinolin-4-ylindole-3-carboxamide
CID 10088809
2-(3-quinolin-5-yltriazol-4-yl)acetic acid
CID 43671489

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide (CID 22267831) is N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide is CCc1c(C(=O)N=C(N)N)cnn1-c1cccc2ncccc12.
What is the InChIKey of N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide?
The InChIKey is DMPMGKQJJZZRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-13-11(15(23)21-16(17)18)9-20-22(13)14-7-3-6-12-10(14)5-4-8-19-12/h3-9H,2H2,1H3,(H4,17,18,21,23).
What are the key properties of N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide?
N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide is sourced from PubChem (CID 22267831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).