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

C20H28N6O — CID 127757987

IUPAC[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nncn3C3CC3)C2)nn1C(C)C1CC1
InChIInChI=1S/C20H28N6O/c1-13-10-18(23-26(13)14(2)15-5-6-15)20(27)24-9-3-4-16(11-24)19-22-21-12-25(19)17-7-8-17/h10,12,14-17H,3-9,11H2,1-2H3
InChIKeyDPMFFKFLNMFIKF-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.11
Rot. Bonds5

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

[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 127757987) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID127757987
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nncn3C3CC3)C2)nn1C(C)C1CC1
InChIInChI=1S/C20H28N6O/c1-13-10-18(23-26(13)14(2)15-5-6-15)20(27)24-9-3-4-16(11-24)19-22-21-12-25(19)17-7-8-17/h10,12,14-17H,3-9,11H2,1-2H3
InChIKeyDPMFFKFLNMFIKF-UHFFFAOYSA-N
XLogP3.11
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[5-(dimethylamino)-2-pyridinyl]methanone
CID 138044699
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
CID 136555336
tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 75443723
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
CID 75502081
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
2-methyl-6-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 124606695
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
ethyl (3S)-1-[1-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylate
CID 51388847
(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
CID 97349966
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86906204
N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86935480

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 127757987) is [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nncn3C3CC3)C2)nn1C(C)C1CC1.
What is the InChIKey of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is DPMFFKFLNMFIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-13-10-18(23-26(13)14(2)15-5-6-15)20(27)24-9-3-4-16(11-24)19-22-21-12-25(19)17-7-8-17/h10,12,14-17H,3-9,11H2,1-2H3.
What are the key properties of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 368.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127757987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).