N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C13H11F2N5O — CID 156823573

IUPACN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1ccnc2c(C(=O)Nc3cn[nH]c3C(F)F)ccn12
InChIInChI=1S/C13H11F2N5O/c1-7-2-4-16-12-8(3-5-20(7)12)13(21)18-9-6-17-19-10(9)11(14)15/h2-6,11H,1H3,(H,17,19)(H,18,21)
InChIKeyRIRRYKOCVRQSKG-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.56
Rot. Bonds3

About N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 156823573) has the molecular formula C13H11F2N5O and a molecular weight of 291.26 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID156823573
Molecular FormulaC13H11F2N5O
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1ccnc2c(C(=O)Nc3cn[nH]c3C(F)F)ccn12
InChIInChI=1S/C13H11F2N5O/c1-7-2-4-16-12-8(3-5-20(7)12)13(21)18-9-6-17-19-10(9)11(14)15/h2-6,11H,1H3,(H,17,19)(H,18,21)
InChIKeyRIRRYKOCVRQSKG-UHFFFAOYSA-N
XLogP2.56
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 156823573) is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1ccnc2c(C(=O)Nc3cn[nH]c3C(F)F)ccn12.
What is the InChIKey of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is RIRRYKOCVRQSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O/c1-7-2-4-16-12-8(3-5-20(7)12)13(21)18-9-6-17-19-10(9)11(14)15/h2-6,11H,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 156823573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).