3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide

C15H21N5O — CID 71789822

IUPAC3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
SMILESCc1nn(-c2ncc(NC(=O)CC(C)C)cn2)c(C)c1C
InChIInChI=1S/C15H21N5O/c1-9(2)6-14(21)18-13-7-16-15(17-8-13)20-12(5)10(3)11(4)19-20/h7-9H,6H2,1-5H3,(H,18,21)
InChIKeyCGHYEXCORQKYQJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.57
Rot. Bonds4

About 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide

3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide (PubChem CID 71789822) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
PubChem CID71789822
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
SMILESCc1nn(-c2ncc(NC(=O)CC(C)C)cn2)c(C)c1C
InChIInChI=1S/C15H21N5O/c1-9(2)6-14(21)18-13-7-16-15(17-8-13)20-12(5)10(3)11(4)19-20/h7-9H,6H2,1-5H3,(H,18,21)
InChIKeyCGHYEXCORQKYQJ-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53569004
4-methyl-N-(2-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyrimidin-5-yl)-1,2,3-thiadiazole-5-carboxamide
CID 71789831
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 71995901
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]cyclopentanecarboxamide
CID 72024809
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N-propylpropanamide
CID 72024817
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-2-methylpropanamide
CID 72024834
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N-propan-2-ylpropanamide
CID 72148103
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(2-pyrimidinyl)-3-piperidinyl]acetamide
CID 56915257
2-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}acetamide
CID 91911066
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102170
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-5-yl)acetamide
CID 71789799
2-{1-[2-(methylamino)-4-pyrimidinyl]-4-piperidyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 83275781

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide (CID 71789822) is 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide is Cc1nn(-c2ncc(NC(=O)CC(C)C)cn2)c(C)c1C.
What is the InChIKey of 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
The InChIKey is CGHYEXCORQKYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(2)6-14(21)18-13-7-16-15(17-8-13)20-12(5)10(3)11(4)19-20/h7-9H,6H2,1-5H3,(H,18,21).
What are the key properties of 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide?
3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide has a molecular weight of 287.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide is sourced from PubChem (CID 71789822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).