3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide

C17H25N7O2 — CID 131937123

IUPAC3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESCc1n[nH]nc1C(=O)N1CCC(CNC(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C17H25N7O2/c1-12-16(21-22-20-12)17(26)24-7-5-13(6-8-24)9-18-15(25)4-3-14-10-19-23(2)11-14/h10-11,13H,3-9H2,1-2H3,(H,18,25)(H,20,21,22)
InChIKeyYKENPGPMWYXSBS-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.45
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide

3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 131937123) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
PubChem CID131937123
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESCc1n[nH]nc1C(=O)N1CCC(CNC(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C17H25N7O2/c1-12-16(21-22-20-12)17(26)24-7-5-13(6-8-24)9-18-15(25)4-3-14-10-19-23(2)11-14/h10-11,13H,3-9H2,1-2H3,(H,18,25)(H,20,21,22)
InChIKeyYKENPGPMWYXSBS-UHFFFAOYSA-N
XLogP0.45
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
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CID 129369601
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118796064
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989
2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid
CID 119178287
N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 116794202
1-[4-(methylamino)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 175658528
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide (CID 131937123) is 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide is Cc1n[nH]nc1C(=O)N1CCC(CNC(=O)CCc2cnn(C)c2)CC1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is YKENPGPMWYXSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-12-16(21-22-20-12)17(26)24-7-5-13(6-8-24)9-18-15(25)4-3-14-10-19-23(2)11-14/h10-11,13H,3-9H2,1-2H3,(H,18,25)(H,20,21,22).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 131937123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).