[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C15H21N5O2 — CID 110271090

IUPAC[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2c2cc(CCO)[nH]n2)cn1
InChIInChI=1S/C15H21N5O2/c1-19-10-11(9-16-19)15(22)20-6-3-2-4-14(20)13-8-12(5-7-21)17-18-13/h8-10,14,21H,2-7H2,1H3,(H,17,18)
InChIKeyNBNIGVXFEIRFIP-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.05
Rot. Bonds4

About [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110271090) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID110271090
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2c2cc(CCO)[nH]n2)cn1
InChIInChI=1S/C15H21N5O2/c1-19-10-11(9-16-19)15(22)20-6-3-2-4-14(20)13-8-12(5-7-21)17-18-13/h8-10,14,21H,2-7H2,1H3,(H,17,18)
InChIKeyNBNIGVXFEIRFIP-UHFFFAOYSA-N
XLogP1.05
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95845828
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 127244916
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-methylpyrazol-4-yl)methanone
CID 42919961
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834
2-[3-[(2S)-1-cyclopentylpyrrolidin-2-yl]-1H-pyrazol-5-yl]ethanol
CID 124968792
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
(1-methylpyrazol-4-yl)-[(2S)-2-[(5S,7R)-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136891349
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110271090) is [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCCC2c2cc(CCO)[nH]n2)cn1.
What is the InChIKey of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is NBNIGVXFEIRFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-10-11(9-16-19)15(22)20-6-3-2-4-14(20)13-8-12(5-7-21)17-18-13/h8-10,14,21H,2-7H2,1H3,(H,17,18).
What are the key properties of [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110271090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).