N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide

C14H18F2N6O — CID 167786912

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c(C(F)F)n1
InChIInChI=1S/C14H18F2N6O/c1-21-7-11(12(20-21)13(15)16)19-14(23)22-4-2-9(3-5-22)10-6-17-8-18-10/h6-9,13H,2-5H2,1H3,(H,17,18)(H,19,23)
InChIKeyASZYUAUPPOJSCT-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.49
Rot. Bonds3

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide (PubChem CID 167786912) has the molecular formula C14H18F2N6O and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
PubChem CID167786912
Molecular FormulaC14H18F2N6O
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c(C(F)F)n1
InChIInChI=1S/C14H18F2N6O/c1-21-7-11(12(20-21)13(15)16)19-14(23)22-4-2-9(3-5-22)10-6-17-8-18-10/h6-9,13H,2-5H2,1H3,(H,17,18)(H,19,23)
InChIKeyASZYUAUPPOJSCT-UHFFFAOYSA-N
XLogP2.49
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 129359240
4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124890430
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 122484400
[4-(1H-imidazol-5-yl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
CID 146093333
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6,6-dimethyloxane-3-carboxamide
CID 167962193
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
CID 146101874
4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfanyl-1-fluoroethyl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide
CID 145127418
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfanyl-1-fluoroethyl]piperidine-1-carboxamide
CID 145127521
3-[4-(1H-imidazol-5-yl)piperidine-1-carbonyl]-1,4-dihydropyrazol-5-one
CID 154863873
4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 122424426
4-(1H-imidazol-5-yl)piperidine-1-carbaldehyde
CID 142698027

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide (CID 167786912) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ASZYUAUPPOJSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6O/c1-21-7-11(12(20-21)13(15)16)19-14(23)22-4-2-9(3-5-22)10-6-17-8-18-10/h6-9,13H,2-5H2,1H3,(H,17,18)(H,19,23).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 167786912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).