5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H23N5O — CID 50977428

IUPAC5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc(C3CC3)[nH]n2)c1C
InChIInChI=1S/C16H23N5O/c1-4-13-10(2)20-21(11(13)3)8-7-17-16(22)15-9-14(18-19-15)12-5-6-12/h9,12H,4-8H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyLEIUAZMPEIOJLI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.09
Rot. Bonds6

About 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 50977428) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID50977428
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cc(C3CC3)[nH]n2)c1C
InChIInChI=1S/C16H23N5O/c1-4-13-10(2)20-21(11(13)3)8-7-17-16(22)15-9-14(18-19-15)12-5-6-12/h9,12H,4-8H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyLEIUAZMPEIOJLI-UHFFFAOYSA-N
XLogP2.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Kdm5A-IN-1
CID 119081409
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N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
US10022354, Example 58
CID 132070185
US10022354, Example 231
CID 121279598
US10022354, Example 172
CID 121279599
US10022354, Example 230
CID 121279605
US10022354, Example 222
CID 121279620

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 50977428) is 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is CCc1c(C)nn(CCNC(=O)c2cc(C3CC3)[nH]n2)c1C.
What is the InChIKey of 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LEIUAZMPEIOJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-13-10(2)20-21(11(13)3)8-7-17-16(22)15-9-14(18-19-15)12-5-6-12/h9,12H,4-8H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 50977428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).