N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane

C22H29F2N5O — CID 156823426

IUPACN-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane
SMILESCCC.Cc1ccnc2c(C(=O)Nc3cn(C4CCCCC4)nc3C(F)F)ccn12
InChIInChI=1S/C19H21F2N5O.C3H8/c1-12-7-9-22-18-14(8-10-25(12)18)19(27)23-15-11-26(24-16(15)17(20)21)13-5-3-2-4-6-13;1-3-2/h7-11,13,17H,2-6H2,1H3,(H,23,27);3H2,1-2H3
InChIKeyCVXBEATYLDILJW-UHFFFAOYSA-N
MW417.50 g/mol
LogP5.95
Rot. Bonds4

About N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane (PubChem CID 156823426) has the molecular formula C22H29F2N5O and a molecular weight of 417.50 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane
PubChem CID156823426
Molecular FormulaC22H29F2N5O
Molecular Weight417.50 g/mol
Exact Mass417.23
IUPAC NameN-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane
SMILESCCC.Cc1ccnc2c(C(=O)Nc3cn(C4CCCCC4)nc3C(F)F)ccn12
InChIInChI=1S/C19H21F2N5O.C3H8/c1-12-7-9-22-18-14(8-10-25(12)18)19(27)23-15-11-26(24-16(15)17(20)21)13-5-3-2-4-6-13;1-3-2/h7-11,13,17H,2-6H2,1H3,(H,23,27);3H2,1-2H3
InChIKeyCVXBEATYLDILJW-UHFFFAOYSA-N
XLogP5.95
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.50
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 156823427
N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane
CID 156823634
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide;propane
CID 156823402
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-(difluoromethoxy)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methanol
CID 156823602
6-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
CID 162464942
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
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-[[(1S,2R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159686135
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide
CID 156523920

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane?
The IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane (CID 156823426) is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane.
What is the SMILES notation for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane?
The canonical SMILES for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane is CCC.Cc1ccnc2c(C(=O)Nc3cn(C4CCCCC4)nc3C(F)F)ccn12.
What is the InChIKey of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane?
The InChIKey is CVXBEATYLDILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O.C3H8/c1-12-7-9-22-18-14(8-10-25(12)18)19(27)23-15-11-26(24-16(15)17(20)21)13-5-3-2-4-6-13;1-3-2/h7-11,13,17H,2-6H2,1H3,(H,23,27);3H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane?
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane has a molecular weight of 417.50 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;propane is sourced from PubChem (CID 156823426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).