cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C12H17N3O — CID 62866717

IUPACcyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H17N3O/c16-12(9-3-4-9)15-7-1-2-10(8-15)11-5-6-13-14-11/h5-6,9-10H,1-4,7-8H2,(H,13,14)
InChIKeyWBTVRSNJHBEAJX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.53
Rot. Bonds2

About cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 62866717) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID62866717
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Namecyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C12H17N3O/c16-12(9-3-4-9)15-7-1-2-10(8-15)11-5-6-13-14-11/h5-6,9-10H,1-4,7-8H2,(H,13,14)
InChIKeyWBTVRSNJHBEAJX-UHFFFAOYSA-N
XLogP1.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95768714
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
[(2R)-1,4-dioxan-2-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768695
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
[(1S,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768641
(2R)-2-amino-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 79012541

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 62866717) is cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WBTVRSNJHBEAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(9-3-4-9)15-7-1-2-10(8-15)11-5-6-13-14-11/h5-6,9-10H,1-4,7-8H2,(H,13,14).
What are the key properties of cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 219.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 62866717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).