N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C16H24F2N4O — CID 48673875

IUPACN-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H24F2N4O/c1-10-14(11(2)22(20-10)16(17)18)9-15(23)19-12-5-7-21(8-6-12)13-3-4-13/h12-13,16H,3-9H2,1-2H3,(H,19,23)
InChIKeyRRIWWDPFBFPSAL-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.18
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 48673875) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID48673875
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C16H24F2N4O/c1-10-14(11(2)22(20-10)16(17)18)9-15(23)19-12-5-7-21(8-6-12)13-3-4-13/h12-13,16H,3-9H2,1-2H3,(H,19,23)
InChIKeyRRIWWDPFBFPSAL-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 48673875) is N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is RRIWWDPFBFPSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-10-14(11(2)22(20-10)16(17)18)9-15(23)19-12-5-7-21(8-6-12)13-3-4-13/h12-13,16H,3-9H2,1-2H3,(H,19,23).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 326.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 48673875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).