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

C16H18F2N4O2 — CID 71994054

IUPACN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCN(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)
InChIKeyCNMFTDVFFRCMBT-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.41
Rot. Bonds5

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

N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 71994054) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID71994054
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCN(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)
InChIKeyCNMFTDVFFRCMBT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (CID 71994054) is N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccn[nH]1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is CNMFTDVFFRCMBT-UHFFFAOYSA-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).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[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-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71994054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).