5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide

C23H27N5O3 — CID 42472961

IUPAC5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2ccnc(-n3ncc(C(=O)N(CCO)C(C)C)c3C3CC3)n2)c1
InChIInChI=1S/C23H27N5O3/c1-15(2)27(11-12-29)22(30)19-14-25-28(21(19)16-7-8-16)23-24-10-9-20(26-23)17-5-4-6-18(13-17)31-3/h4-6,9-10,13-16,29H,7-8,11-12H2,1-3H3
InChIKeySZQKBANHHSLYOW-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.06
Rot. Bonds8

About 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide

5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42472961) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID42472961
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2ccnc(-n3ncc(C(=O)N(CCO)C(C)C)c3C3CC3)n2)c1
InChIInChI=1S/C23H27N5O3/c1-15(2)27(11-12-29)22(30)19-14-25-28(21(19)16-7-8-16)23-24-10-9-20(26-23)17-5-4-6-18(13-17)31-3/h4-6,9-10,13-16,29H,7-8,11-12H2,1-3H3
InChIKeySZQKBANHHSLYOW-UHFFFAOYSA-N
XLogP3.06
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870
5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42171058
5-cyclopropyl-N-(2-hydroxyethyl)-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-propan-2-ylpyrazole-4-carboxamide
CID 26351847
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 42397350
N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 26348680
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 42430643
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 26358958
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 42472887
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 42423261
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42480683
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 42471409
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 118760201

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide (CID 42472961) is 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide is COc1cccc(-c2ccnc(-n3ncc(C(=O)N(CCO)C(C)C)c3C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SZQKBANHHSLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(2)27(11-12-29)22(30)19-14-25-28(21(19)16-7-8-16)23-24-10-9-20(26-23)17-5-4-6-18(13-17)31-3/h4-6,9-10,13-16,29H,7-8,11-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide?
5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42472961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).