N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane

C19H24F2N6O — CID 156823634

IUPACN-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane
SMILESCCC.Cc1ccnc2c(C(=O)Nc3cn(C4CCC4)nc3C(F)F)cnn12
InChIInChI=1S/C16H16F2N6O.C3H8/c1-9-5-6-19-15-11(7-20-24(9)15)16(25)21-12-8-23(10-3-2-4-10)22-13(12)14(17)18;1-3-2/h5-8,10,14H,2-4H2,1H3,(H,21,25);3H2,1-2H3
InChIKeyGXWSVHPFDHQNFT-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.57
Rot. Bonds4

About N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane

N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane (PubChem CID 156823634) has the molecular formula C19H24F2N6O and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane.

Molecular Properties

Compound NameN-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane
PubChem CID156823634
Molecular FormulaC19H24F2N6O
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC NameN-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane
SMILESCCC.Cc1ccnc2c(C(=O)Nc3cn(C4CCC4)nc3C(F)F)cnn12
InChIInChI=1S/C16H16F2N6O.C3H8/c1-9-5-6-19-15-11(7-20-24(9)15)16(25)21-12-8-23(10-3-2-4-10)22-13(12)14(17)18;1-3-2/h5-8,10,14H,2-4H2,1H3,(H,21,25);3H2,1-2H3
InChIKeyGXWSVHPFDHQNFT-UHFFFAOYSA-N
XLogP4.57
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane
CID 156823426
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 156823427
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169120995
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599059
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;propane
CID 156823402
N-[3-(difluoromethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-[[(1R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166733514
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-[[(1S,2R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159686135
N-[1-cyclohexyl-3-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
CID 156823602
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523603
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599694
5-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158632830
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523918

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane?
The IUPAC name of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane (CID 156823634) is N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane.
What is the SMILES notation for N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane?
The canonical SMILES for N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane is CCC.Cc1ccnc2c(C(=O)Nc3cn(C4CCC4)nc3C(F)F)cnn12.
What is the InChIKey of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane?
The InChIKey is GXWSVHPFDHQNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6O.C3H8/c1-9-5-6-19-15-11(7-20-24(9)15)16(25)21-12-8-23(10-3-2-4-10)22-13(12)14(17)18;1-3-2/h5-8,10,14H,2-4H2,1H3,(H,21,25);3H2,1-2H3.
What are the key properties of N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane?
N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane has a molecular weight of 390.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane is sourced from PubChem (CID 156823634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).