5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide

C24H24N6O3 — CID 45166918

IUPAC5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)C(C)c3ccon3)c2C2CC2)n1
InChIInChI=1S/C24H24N6O3/c1-15(19-11-13-33-28-19)29(2)23(31)18-14-26-30(22(18)16-8-9-16)24-25-12-10-20(27-24)17-6-4-5-7-21(17)32-3/h4-7,10-16H,8-9H2,1-3H3
InChIKeyUNHBQZYWAFTSGC-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.04
Rot. Bonds7

About 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 45166918) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID45166918
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)C(C)c3ccon3)c2C2CC2)n1
InChIInChI=1S/C24H24N6O3/c1-15(19-11-13-33-28-19)29(2)23(31)18-14-26-30(22(18)16-8-9-16)24-25-12-10-20(27-24)17-6-4-5-7-21(17)32-3/h4-7,10-16H,8-9H2,1-3H3
InChIKeyUNHBQZYWAFTSGC-UHFFFAOYSA-N
XLogP4.04
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(5-Fluoro-4-methoxypyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 71622289
[1-Benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16297716
[1-Benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16298601
N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(2-furyl)-1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-1H-pyrazole-4-carboxamide
CID 45167455
3-[3-[4-(Cyclopropylmethoxy)-5-fluoropyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazol-5-yl]-1,2-oxazole
CID 118965725
N-cyclopropyl-2-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-methylbutanamide
CID 90445875
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 90446489
N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42358965
1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42397071
1-[4-(2-methoxyphenyl)-2-pyrimidinyl]-5-methyl-N-(4-pyridinylmethyl)-1H-pyrazole-4-carboxamide
CID 42421309
5-cyclopropyl-N-[1-(3-isoxazolyl)ethyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 45166650
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
CID 42236573

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide (CID 45166918) is 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide is COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)C(C)c3ccon3)c2C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is UNHBQZYWAFTSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15(19-11-13-33-28-19)29(2)23(31)18-14-26-30(22(18)16-8-9-16)24-25-12-10-20(27-24)17-6-4-5-7-21(17)32-3/h4-7,10-16H,8-9H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45166918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).