N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C11H16N4O — CID 66120728

IUPACN-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)CC#N)n(C)n1
InChIInChI=1S/C11H16N4O/c1-4-9-7-10(15(3)14-9)11(16)13-8(2)5-6-12/h7-8H,4-5H2,1-3H3,(H,13,16)
InChIKeyJEQRCJUWQHJNRL-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.01
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66120728) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66120728
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)CC#N)n(C)n1
InChIInChI=1S/C11H16N4O/c1-4-9-7-10(15(3)14-9)11(16)13-8(2)5-6-12/h7-8H,4-5H2,1-3H3,(H,13,16)
InChIKeyJEQRCJUWQHJNRL-UHFFFAOYSA-N
XLogP1.01
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79193800
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326
N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119938
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 77113214
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66120728) is N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)CC#N)n(C)n1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is JEQRCJUWQHJNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-9-7-10(15(3)14-9)11(16)13-8(2)5-6-12/h7-8H,4-5H2,1-3H3,(H,13,16).
What are the key properties of N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).