N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C17H28N4O3 — CID 24818917

IUPACN-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(CC(O)CO)CC1)C1CCCC1
InChIInChI=1S/C17H28N4O3/c22-12-15(23)11-20-9-6-14(7-10-20)21-16(5-8-18-21)19-17(24)13-3-1-2-4-13/h5,8,13-15,22-23H,1-4,6-7,9-12H2,(H,19,24)
InChIKeySELFRKXEGISOOF-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.00
Rot. Bonds6

About N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24818917) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24818917
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(CC(O)CO)CC1)C1CCCC1
InChIInChI=1S/C17H28N4O3/c22-12-15(23)11-20-9-6-14(7-10-20)21-16(5-8-18-21)19-17(24)13-3-1-2-4-13/h5,8,13-15,22-23H,1-4,6-7,9-12H2,(H,19,24)
InChIKeySELFRKXEGISOOF-UHFFFAOYSA-N
XLogP1.00
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24816873
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 45250863
N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56742072
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 44543677
N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24819134
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56741886
N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 26404364
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26334914
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24818917) is N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(CC(O)CO)CC1)C1CCCC1.
What is the InChIKey of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is SELFRKXEGISOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c22-12-15(23)11-20-9-6-14(7-10-20)21-16(5-8-18-21)19-17(24)13-3-1-2-4-13/h5,8,13-15,22-23H,1-4,6-7,9-12H2,(H,19,24).
What are the key properties of N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24818917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).