2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H19N5O2 — CID 97127011

IUPAC2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1ccnn1C
InChIInChI=1S/C15H19N5O2/c1-3-11(12-6-7-17-20(12)2)18-14(21)10-8-16-13(9-4-5-9)19-15(10)22/h6-9,11H,3-5H2,1-2H3,(H,18,21)(H,16,19,22)/t11-/m1/s1
InChIKeyHYTMQEWNRUIRHW-LLVKDONJSA-N
MW301.35 g/mol
LogP1.26
Rot. Bonds5

About 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97127011) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97127011
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1ccnn1C
InChIInChI=1S/C15H19N5O2/c1-3-11(12-6-7-17-20(12)2)18-14(21)10-8-16-13(9-4-5-9)19-15(10)22/h6-9,11H,3-5H2,1-2H3,(H,18,21)(H,16,19,22)/t11-/m1/s1
InChIKeyHYTMQEWNRUIRHW-LLVKDONJSA-N
XLogP1.26
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97127011) is 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1ccnn1C.
What is the InChIKey of 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HYTMQEWNRUIRHW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-11(12-6-7-17-20(12)2)18-14(21)10-8-16-13(9-4-5-9)19-15(10)22/h6-9,11H,3-5H2,1-2H3,(H,18,21)(H,16,19,22)/t11-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97127011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).