N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide

C13H18N4O — CID 103893889

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H18N4O/c1-3-12-11(9-16(2)15-12)13(18)17(8-4-7-14)10-5-6-10/h9-10H,3-6,8H2,1-2H3
InChIKeyRFAPNSASVXURNQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 103893889) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID103893889
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H18N4O/c1-3-12-11(9-16(2)15-12)13(18)17(8-4-7-14)10-5-6-10/h9-10H,3-6,8H2,1-2H3
InChIKeyRFAPNSASVXURNQ-UHFFFAOYSA-N
XLogP1.50
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102811034
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N-(4-aminocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
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4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
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CID 54997264
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CID 66288353
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CID 102809911
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide (CID 103893889) is N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is RFAPNSASVXURNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-12-11(9-16(2)15-12)13(18)17(8-4-7-14)10-5-6-10/h9-10H,3-6,8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 103893889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).