1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde

C14H17N3O — CID 66407470

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H17N3O/c18-11-14-6-3-8-16(14)10-12-7-9-17(15-12)13-4-1-2-5-13/h3,6-9,11,13H,1-2,4-5,10H2
InChIKeyZDXLGAFCLSVWGI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds4

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde

1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde (PubChem CID 66407470) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
PubChem CID66407470
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H17N3O/c18-11-14-6-3-8-16(14)10-12-7-9-17(15-12)13-4-1-2-5-13/h3,6-9,11,13H,1-2,4-5,10H2
InChIKeyZDXLGAFCLSVWGI-UHFFFAOYSA-N
XLogP2.66
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407704
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402598
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64799958
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde (CID 66407470) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde is O=Cc1cccn1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde?
The InChIKey is ZDXLGAFCLSVWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-11-14-6-3-8-16(14)10-12-7-9-17(15-12)13-4-1-2-5-13/h3,6-9,11,13H,1-2,4-5,10H2.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde?
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 66407470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).