(2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

C14H21N3O — CID 54876960

IUPAC(2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC1C1CCCCC1
InChIInChI=1S/C14H21N3O/c18-14(12-9-15-16-10-12)17-8-4-7-13(17)11-5-2-1-3-6-11/h9-11,13H,1-8H2,(H,15,16)
InChIKeyJUWZYEOVVXUPGP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.59
Rot. Bonds2

About (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone

(2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 54876960) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID54876960
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC1C1CCCCC1
InChIInChI=1S/C14H21N3O/c18-14(12-9-15-16-10-12)17-8-4-7-13(17)11-5-2-1-3-6-11/h9-11,13H,1-8H2,(H,15,16)
InChIKeyJUWZYEOVVXUPGP-UHFFFAOYSA-N
XLogP2.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
N-methyl-4-[1-(1H-pyrazol-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 91921353
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
N-({trans-4-[(methylamino)carbonyl]cyclohexyl}methyl)-1H-pyrazole-4-carboxamide
CID 77082666
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 164631489
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 54876960) is (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is JUWZYEOVVXUPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(12-9-15-16-10-12)17-8-4-7-13(17)11-5-2-1-3-6-11/h9-11,13H,1-8H2,(H,15,16).
What are the key properties of (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone?
(2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 54876960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).