5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide

C16H27N3O2 — CID 164636740

IUPAC5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(C(=O)c1n[nH]c(CC)c1C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H27N3O2/c1-4-10-19(13-8-6-7-9-14(13)20)16(21)15-11(3)12(5-2)17-18-15/h13-14,20H,4-10H2,1-3H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyBZSRQUSACIJUGO-KBPBESRZSA-N
MW293.41 g/mol
LogP2.44
Rot. Bonds5

About 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide

5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide (PubChem CID 164636740) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide
PubChem CID164636740
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(C(=O)c1n[nH]c(CC)c1C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H27N3O2/c1-4-10-19(13-8-6-7-9-14(13)20)16(21)15-11(3)12(5-2)17-18-15/h13-14,20H,4-10H2,1-3H3,(H,17,18)/t13-,14-/m0/s1
InChIKeyBZSRQUSACIJUGO-KBPBESRZSA-N
XLogP2.44
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide (CID 164636740) is 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide is CCCN(C(=O)c1n[nH]c(CC)c1C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is BZSRQUSACIJUGO-KBPBESRZSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-10-19(13-8-6-7-9-14(13)20)16(21)15-11(3)12(5-2)17-18-15/h13-14,20H,4-10H2,1-3H3,(H,17,18)/t13-,14-/m0/s1.
What are the key properties of 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 164636740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).