N-(1H-pyrazol-4-yl)cyclohexanecarboxamide

C10H15N3O — CID 43429406

IUPACN-(1H-pyrazol-4-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCCC1
InChIInChI=1S/C10H15N3O/c14-10(8-4-2-1-3-5-8)13-9-6-11-12-7-9/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyMNQKXAISUGGINF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.93
Rot. Bonds2

About N-(1H-pyrazol-4-yl)cyclohexanecarboxamide

N-(1H-pyrazol-4-yl)cyclohexanecarboxamide (PubChem CID 43429406) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)cyclohexanecarboxamide
PubChem CID43429406
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(1H-pyrazol-4-yl)cyclohexanecarboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCCCC1
InChIInChI=1S/C10H15N3O/c14-10(8-4-2-1-3-5-8)13-9-6-11-12-7-9/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyMNQKXAISUGGINF-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)cyclohexanecarboxamide (CID 43429406) is N-(1H-pyrazol-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)cyclohexanecarboxamide is O=C(Nc1cn[nH]c1)C1CCCCC1.
What is the InChIKey of N-(1H-pyrazol-4-yl)cyclohexanecarboxamide?
The InChIKey is MNQKXAISUGGINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(8-4-2-1-3-5-8)13-9-6-11-12-7-9/h6-8H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of N-(1H-pyrazol-4-yl)cyclohexanecarboxamide?
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 43429406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).