1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

C12H19FN4O — CID 154785607

IUPAC1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cnn(CCF)c2)C1
InChIInChI=1S/C12H19FN4O/c13-3-5-17-8-10(6-15-17)7-16-4-1-2-11(9-16)12(14)18/h6,8,11H,1-5,7,9H2,(H2,14,18)
InChIKeyQVVKERDZQQBDDV-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.55
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide

1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 154785607) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID154785607
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cnn(CCF)c2)C1
InChIInChI=1S/C12H19FN4O/c13-3-5-17-8-10(6-15-17)7-16-4-1-2-11(9-16)12(14)18/h6,8,11H,1-5,7,9H2,(H2,14,18)
InChIKeyQVVKERDZQQBDDV-UHFFFAOYSA-N
XLogP0.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 54869296
(2R)-2-amino-N-isopropyl-4-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 56861577
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 71895115
3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 71899632
N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-4-(1-piperidinyl)butanamide
CID 72881466
(3S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97139220
2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 171359926
1-[(3S,4S)-3-fluoro-4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 162486549

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide (CID 154785607) is 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cnn(CCF)c2)C1.
What is the InChIKey of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is QVVKERDZQQBDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c13-3-5-17-8-10(6-15-17)7-16-4-1-2-11(9-16)12(14)18/h6,8,11H,1-5,7,9H2,(H2,14,18).
What are the key properties of 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide?
1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 154785607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).