N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

C12H20N4O2 — CID 110482309

IUPACN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCNCC2)n(CCO)n1
InChIInChI=1S/C12H20N4O2/c1-9-8-11(16(15-9)6-7-17)14-12(18)10-2-4-13-5-3-10/h8,10,13,17H,2-7H2,1H3,(H,14,18)
InChIKeyNBPHDXQLYWQDQZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.12
Rot. Bonds4

About N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 110482309) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
PubChem CID110482309
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCNCC2)n(CCO)n1
InChIInChI=1S/C12H20N4O2/c1-9-8-11(16(15-9)6-7-17)14-12(18)10-2-4-13-5-3-10/h8,10,13,17H,2-7H2,1H3,(H,14,18)
InChIKeyNBPHDXQLYWQDQZ-UHFFFAOYSA-N
XLogP0.12
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(cyclobutanecarbonylamino)-3-methylpyrazol-1-yl]acetic acid
CID 154846411
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
2-[5-(cyclohexylamino)-3-methylpyrazol-1-yl]ethanol
CID 115653189
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411
N-(4,6-dimethyl-2-pyridinyl)piperidine-4-carboxamide
CID 115976769
N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154900615
(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide (CID 110482309) is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCNCC2)n(CCO)n1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is NBPHDXQLYWQDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-8-11(16(15-9)6-7-17)14-12(18)10-2-4-13-5-3-10/h8,10,13,17H,2-7H2,1H3,(H,14,18).
What are the key properties of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 110482309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).