1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile

C17H24N4O — CID 56779437

IUPAC1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCc1cnn(CC2CCCN2C(=O)C2(C#N)CCCCC2)c1
InChIInChI=1S/C17H24N4O/c1-14-10-19-20(11-14)12-15-6-5-9-21(15)16(22)17(13-18)7-3-2-4-8-17/h10-11,15H,2-9,12H2,1H3
InChIKeyORJQUGGMVISLDS-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile

1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 56779437) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
PubChem CID56779437
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCc1cnn(CC2CCCN2C(=O)C2(C#N)CCCCC2)c1
InChIInChI=1S/C17H24N4O/c1-14-10-19-20(11-14)12-15-6-5-9-21(15)16(22)17(13-18)7-3-2-4-8-17/h10-11,15H,2-9,12H2,1H3
InChIKeyORJQUGGMVISLDS-UHFFFAOYSA-N
XLogP2.66
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
(4-methyloxan-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 154747951
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114011856
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 129370169
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]indol-1-yl]acetonitrile
CID 56779474
1-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 95345806
2-cyclopentylsulfonyl-1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56802359
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95605673
2-cyclopentylsulfonyl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95605681

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile (CID 56779437) is 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile is Cc1cnn(CC2CCCN2C(=O)C2(C#N)CCCCC2)c1.
What is the InChIKey of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is ORJQUGGMVISLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-10-19-20(11-14)12-15-6-5-9-21(15)16(22)17(13-18)7-3-2-4-8-17/h10-11,15H,2-9,12H2,1H3.
What are the key properties of 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile?
1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 56779437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).