N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide

C19H22N6O2 — CID 53167940

IUPACN-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cnn(-c3ncc(N(C)C)cn3)c2)c1
InChIInChI=1S/C19H22N6O2/c1-24(2)16-11-20-19(21-12-16)25-13-15(10-22-25)23-18(26)8-7-14-5-4-6-17(9-14)27-3/h4-6,9-13H,7-8H2,1-3H3,(H,23,26)
InChIKeyZSGLRNLDZZAUCM-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.31
Rot. Bonds7

About N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide

N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide (PubChem CID 53167940) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
PubChem CID53167940
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cnn(-c3ncc(N(C)C)cn3)c2)c1
InChIInChI=1S/C19H22N6O2/c1-24(2)16-11-20-19(21-12-16)25-13-15(10-22-25)23-18(26)8-7-14-5-4-6-17(9-14)27-3/h4-6,9-13H,7-8H2,1-3H3,(H,23,26)
InChIKeyZSGLRNLDZZAUCM-UHFFFAOYSA-N
XLogP2.31
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53168028
N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 53190035
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53168015
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 37120763
3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 110725062
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide (CID 53167940) is N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2cnn(-c3ncc(N(C)C)cn3)c2)c1.
What is the InChIKey of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is ZSGLRNLDZZAUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24(2)16-11-20-19(21-12-16)25-13-15(10-22-25)23-18(26)8-7-14-5-4-6-17(9-14)27-3/h4-6,9-13H,7-8H2,1-3H3,(H,23,26).
What are the key properties of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide?
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 366.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 53167940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).