1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide

C18H19N5O2 — CID 70721608

IUPAC1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)C(C)c2ccncn2)cn1
InChIInChI=1S/C18H19N5O2/c1-13(15-8-9-19-12-20-15)22(2)18(24)14-10-21-23(11-14)16-6-4-5-7-17(16)25-3/h4-13H,1-3H3
InChIKeyUINKSUFTMUQWCJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.50
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide

1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 70721608) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID70721608
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)C(C)c2ccncn2)cn1
InChIInChI=1S/C18H19N5O2/c1-13(15-8-9-19-12-20-15)22(2)18(24)14-10-21-23(11-14)16-6-4-5-7-17(16)25-3/h4-13H,1-3H3
InChIKeyUINKSUFTMUQWCJ-UHFFFAOYSA-N
XLogP2.50
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
CID 97144985
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 70776308
1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
CID 97143423
1-(2-methoxyphenyl)pyrazol-4-ol
CID 117124800
3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 125440550
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
1-(2-methoxyphenyl)-4-propan-2-yloxypyrazole
CID 117229659
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide (CID 70721608) is 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)N(C)C(C)c2ccncn2)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is UINKSUFTMUQWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13(15-8-9-19-12-20-15)22(2)18(24)14-10-21-23(11-14)16-6-4-5-7-17(16)25-3/h4-13H,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide?
1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 70721608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).