2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide

C18H18N6O3 — CID 162674655

IUPAC2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)(NC(=O)c1cnc(-n2cc(C(N)=O)cn2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H18N6O3/c1-18(2,12-6-4-3-5-7-12)23-16(27)13-9-20-17(22-15(13)26)24-10-11(8-21-24)14(19)25/h3-10H,1-2H3,(H2,19,25)(H,23,27)(H,20,22,26)
InChIKeyLSPDBPKGKVRTML-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.72
Rot. Bonds5

About 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide

2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 162674655) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
PubChem CID162674655
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)(NC(=O)c1cnc(-n2cc(C(N)=O)cn2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H18N6O3/c1-18(2,12-6-4-3-5-7-12)23-16(27)13-9-20-17(22-15(13)26)24-10-11(8-21-24)14(19)25/h3-10H,1-2H3,(H2,19,25)(H,23,27)(H,20,22,26)
InChIKeyLSPDBPKGKVRTML-UHFFFAOYSA-N
XLogP0.72
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide (CID 162674655) is 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide is CC(C)(NC(=O)c1cnc(-n2cc(C(N)=O)cn2)[nH]c1=O)c1ccccc1.
What is the InChIKey of 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is LSPDBPKGKVRTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-18(2,12-6-4-3-5-7-12)23-16(27)13-9-20-17(22-15(13)26)24-10-11(8-21-24)14(19)25/h3-10H,1-2H3,(H2,19,25)(H,23,27)(H,20,22,26).
What are the key properties of 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide?
2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpyrazol-1-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 162674655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).