N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C11H13ClN6O — CID 6210471

IUPACN-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)[nH]n1)c1nn(C)cc1Cl
InChIInChI=1S/C11H13ClN6O/c1-6-4-9(15-13-6)11(19)16-14-7(2)10-8(12)5-18(3)17-10/h4-5H,1-3H3,(H,13,15)(H,16,19)/b14-7-
InChIKeyCPCZDIORQIRIGM-AUWJEWJLSA-N
MW280.72 g/mol
LogP1.26
Rot. Bonds3

About N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 6210471) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID6210471
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC NameN-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)[nH]n1)c1nn(C)cc1Cl
InChIInChI=1S/C11H13ClN6O/c1-6-4-9(15-13-6)11(19)16-14-7(2)10-8(12)5-18(3)17-10/h4-5H,1-3H3,(H,13,15)(H,16,19)/b14-7-
InChIKeyCPCZDIORQIRIGM-AUWJEWJLSA-N
XLogP1.26
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5454090
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 71951735
N-(1-cyclopropylethylideneamino)-5-methyl-1H-pyrazole-3-carboxamide
CID 922022
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5344234
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 51057011
5-methyl-N-[[2-methyl-3-[4-[2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]prop-1-enyl]phenyl]prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 3097199
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide
CID 126988470
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 6210471) is N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is C/C(=N/NC(=O)c1cc(C)[nH]n1)c1nn(C)cc1Cl.
What is the InChIKey of N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CPCZDIORQIRIGM-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-6-4-9(15-13-6)11(19)16-14-7(2)10-8(12)5-18(3)17-10/h4-5H,1-3H3,(H,13,15)(H,16,19)/b14-7-.
What are the key properties of N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6210471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).