1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide

C12H19N3O2 — CID 164638046

IUPAC1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1(O)CCCC1)c1ccn(C)n1
InChIInChI=1S/C12H19N3O2/c1-9(10-5-8-15(2)14-10)13-11(16)12(17)6-3-4-7-12/h5,8-9,17H,3-4,6-7H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyDWVNCTYBAFCBET-VIFPVBQESA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds3

About 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide

1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 164638046) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID164638046
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1(O)CCCC1)c1ccn(C)n1
InChIInChI=1S/C12H19N3O2/c1-9(10-5-8-15(2)14-10)13-11(16)12(17)6-3-4-7-12/h5,8-9,17H,3-4,6-7H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyDWVNCTYBAFCBET-VIFPVBQESA-N
XLogP0.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide (CID 164638046) is 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide is C[C@H](NC(=O)C1(O)CCCC1)c1ccn(C)n1.
What is the InChIKey of 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DWVNCTYBAFCBET-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(10-5-8-15(2)14-10)13-11(16)12(17)6-3-4-7-12/h5,8-9,17H,3-4,6-7H2,1-2H3,(H,13,16)/t9-/m0/s1.
What are the key properties of 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide?
1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 164638046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).