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

C14H17N3O — CID 66407704

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C14H17N3O/c18-11-12-5-7-16(9-12)10-13-6-8-17(15-13)14-3-1-2-4-14/h5-9,11,14H,1-4,10H2
InChIKeyVQMWSBFVHGHKHA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds4

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

1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde (PubChem CID 66407704) 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-3-carbaldehyde.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
PubChem CID66407704
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
SMILESO=Cc1ccn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C14H17N3O/c18-11-12-5-7-16(9-12)10-13-6-8-17(15-13)14-3-1-2-4-14/h5-9,11,14H,1-4,10H2
InChIKeyVQMWSBFVHGHKHA-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-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405542
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
CID 79106230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333
3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 103962037
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79109471
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde (CID 66407704) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde is O=Cc1ccn(Cc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde?
The InChIKey is VQMWSBFVHGHKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-11-12-5-7-16(9-12)10-13-6-8-17(15-13)14-3-1-2-4-14/h5-9,11,14H,1-4,10H2.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde?
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-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-3-carbaldehyde is sourced from PubChem (CID 66407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).