piperidin-1-yl(1H-pyrazol-4-yl)methanone

C9H13N3O — CID 43582692

IUPACpiperidin-1-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCCC1
InChIInChI=1S/C9H13N3O/c13-9(8-6-10-11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11)
InChIKeyYBLFBAXEWQBOIB-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.04
Rot. Bonds1

About piperidin-1-yl(1H-pyrazol-4-yl)methanone

piperidin-1-yl(1H-pyrazol-4-yl)methanone (PubChem CID 43582692) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is piperidin-1-yl(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl(1H-pyrazol-4-yl)methanone
PubChem CID43582692
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Namepiperidin-1-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCCC1
InChIInChI=1S/C9H13N3O/c13-9(8-6-10-11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11)
InChIKeyYBLFBAXEWQBOIB-UHFFFAOYSA-N
XLogP1.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
1-(1H-pyrazol-4-ylcarbonyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77078732
4-(2-methoxyethoxy)-1-(1H-pyrazol-4-ylcarbonyl)piperidine
CID 77080633
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336
N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
CID 77092439
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl(1H-pyrazol-4-yl)methanone?
The IUPAC name of piperidin-1-yl(1H-pyrazol-4-yl)methanone (CID 43582692) is piperidin-1-yl(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl(1H-pyrazol-4-yl)methanone?
The canonical SMILES for piperidin-1-yl(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl(1H-pyrazol-4-yl)methanone?
The InChIKey is YBLFBAXEWQBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(8-6-10-11-7-8)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11).
What are the key properties of piperidin-1-yl(1H-pyrazol-4-yl)methanone?
piperidin-1-yl(1H-pyrazol-4-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 43582692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).