4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide

C16H17F2N5O2 — CID 24864082

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1
InChIKeyKOMNQBZWMCFDTQ-VIFPVBQESA-N
MW349.34 g/mol
LogP1.42
Rot. Bonds4

About 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 24864082) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID24864082
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1
InChIKeyKOMNQBZWMCFDTQ-VIFPVBQESA-N
XLogP1.42
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide
CID 11338033
4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864077
(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
CID 24864078
(((2,6-difluorophenyl)carbonyl)amino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864079
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
Pyrazole diamide, 21
CID 24971317
N-(Cyclopropylmethyl)-4-(2,6-difluorobenzamido)-1H-pyrazole-3-carboxamide
CID 24971318
Pyrazole diamide, 25
CID 24971319
Pyrazole diamide, 26
CID 24971320
Pyrazole diamide, 27
CID 24971321
Pyrazole diamide, 30
CID 24971322
Pyrazole diamide, 32
CID 24971323

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide (CID 24864082) is 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@H]1CCCNC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is KOMNQBZWMCFDTQ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1.
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24864082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).