1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde

C16H25N3O — CID 64776943

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H25N3O/c20-13-14-6-9-18(10-7-14)12-15-8-11-19(17-15)16-4-2-1-3-5-16/h8,11,13-14,16H,1-7,9-10,12H2
InChIKeyLZAJDWIQEIARAL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.80
Rot. Bonds4

About 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde

1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde (PubChem CID 64776943) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
PubChem CID64776943
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H25N3O/c20-13-14-6-9-18(10-7-14)12-15-8-11-19(17-15)16-4-2-1-3-5-16/h8,11,13-14,16H,1-7,9-10,12H2
InChIKeyLZAJDWIQEIARAL-UHFFFAOYSA-N
XLogP2.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.80
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

4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314453
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde (CID 64776943) is 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde is O=CC1CCN(Cc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde?
The InChIKey is LZAJDWIQEIARAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-13-14-6-9-18(10-7-14)12-15-8-11-19(17-15)16-4-2-1-3-5-16/h8,11,13-14,16H,1-7,9-10,12H2.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde?
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde has a molecular weight of 275.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 64776943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).