4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide

C13H21N5O2 — CID 72719656

IUPAC4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cnn(C3CCOC3)c2)CC1
InChIInChI=1S/C13H21N5O2/c1-16-3-5-17(6-4-16)13(19)15-11-8-14-18(9-11)12-2-7-20-10-12/h8-9,12H,2-7,10H2,1H3,(H,15,19)
InChIKeyOPILZXYFPZDDEZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds2

About 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide

4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide (PubChem CID 72719656) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
PubChem CID72719656
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cnn(C3CCOC3)c2)CC1
InChIInChI=1S/C13H21N5O2/c1-16-3-5-17(6-4-16)13(19)15-11-8-14-18(9-11)12-2-7-20-10-12/h8-9,12H,2-7,10H2,1H3,(H,15,19)
InChIKeyOPILZXYFPZDDEZ-UHFFFAOYSA-N
XLogP0.62
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 97428103
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
CID 97428021

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide (CID 72719656) is 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2cnn(C3CCOC3)c2)CC1.
What is the InChIKey of 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide?
The InChIKey is OPILZXYFPZDDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-16-3-5-17(6-4-16)13(19)15-11-8-14-18(9-11)12-2-7-20-10-12/h8-9,12H,2-7,10H2,1H3,(H,15,19).
What are the key properties of 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide?
4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 72719656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).