[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H20N6O — CID 53192457

IUPAC[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H20N6O/c1-20-12(4-7-16-20)15(22)21-8-5-11(6-9-21)14-17-13(18-19-14)10-2-3-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,17,18,19)
InChIKeyPJPXVDREZDLWBM-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.44
Rot. Bonds3

About [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 53192457) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID53192457
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H20N6O/c1-20-12(4-7-16-20)15(22)21-8-5-11(6-9-21)14-17-13(18-19-14)10-2-3-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,17,18,19)
InChIKeyPJPXVDREZDLWBM-UHFFFAOYSA-N
XLogP1.44
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749
4-ethyl-5-({1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56875666
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 72136181
(1-Propan-2-ylpyrazol-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72136185
1H-pyrazol-5-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72145740
1-[5-(1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}piperidin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 72844537
4-(1-isopropyl-1H-imidazol-2-yl)-1-(1H-pyrazol-3-ylcarbonyl)piperidine
CID 72873376
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110272191
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 118740247
(2-Methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134788474

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 53192457) is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is PJPXVDREZDLWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-12(4-7-16-20)15(22)21-8-5-11(6-9-21)14-17-13(18-19-14)10-2-3-10/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,17,18,19).
What are the key properties of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 300.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 53192457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).