N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide

C16H18F2N4O2 — CID 96568176

IUPACN-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn[nH]1
InChIInChI=1S/C16H18F2N4O2/c17-16(18)24-13-5-3-12(4-6-13)22-9-1-2-11(10-22)20-15(23)14-7-8-19-21-14/h3-8,11,16H,1-2,9-10H2,(H,19,21)(H,20,23)/t11-/m1/s1
InChIKeyCNMFTDVFFRCMBT-LLVKDONJSA-N
MW336.34 g/mol
LogP2.41
Rot. Bonds5

About N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 96568176) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID96568176
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC NameN-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn[nH]1
InChIInChI=1S/C16H18F2N4O2/c17-16(18)24-13-5-3-12(4-6-13)22-9-1-2-11(10-22)20-15(23)14-7-8-19-21-14/h3-8,11,16H,1-2,9-10H2,(H,19,21)(H,20,23)/t11-/m1/s1
InChIKeyCNMFTDVFFRCMBT-LLVKDONJSA-N
XLogP2.41
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide
CID 71994057
N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96547281
(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide
CID 129378077
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133325736
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-3-nitropyridin-2-amine
CID 133325739
2-[[[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042256
N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 62050322
2-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-5-nitrobenzamide
CID 133325741
methyl-[4-(1H-pyrazole-5-carbonylamino)piperidin-1-yl]borinic acid
CID 153412370

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (CID 96568176) is N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn[nH]1.
What is the InChIKey of N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is CNMFTDVFFRCMBT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c17-16(18)24-13-5-3-12(4-6-13)22-9-1-2-11(10-22)20-15(23)14-7-8-19-21-14/h3-8,11,16H,1-2,9-10H2,(H,19,21)(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 96568176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).