4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide

C15H25N5O2 — CID 121145358

IUPAC4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cnn(CC3CCCCO3)c2)CC1
InChIInChI=1S/C15H25N5O2/c1-18-5-7-19(8-6-18)15(21)17-13-10-16-20(11-13)12-14-4-2-3-9-22-14/h10-11,14H,2-9,12H2,1H3,(H,17,21)
InChIKeyDYVAMZKEYVHOIL-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.23
Rot. Bonds3

About 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide

4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide (PubChem CID 121145358) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
PubChem CID121145358
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cnn(CC3CCCCO3)c2)CC1
InChIInChI=1S/C15H25N5O2/c1-18-5-7-19(8-6-18)15(21)17-13-10-16-20(11-13)12-14-4-2-3-9-22-14/h10-11,14H,2-9,12H2,1H3,(H,17,21)
InChIKeyDYVAMZKEYVHOIL-UHFFFAOYSA-N
XLogP1.23
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136529661
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 95899494
4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 154752369
(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 96567739
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
(2S)-2-(1H-imidazol-2-yl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]piperidine-1-carboxamide
CID 97054254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide (CID 121145358) is 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide is CN1CCN(C(=O)Nc2cnn(CC3CCCCO3)c2)CC1.
What is the InChIKey of 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The InChIKey is DYVAMZKEYVHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-18-5-7-19(8-6-18)15(21)17-13-10-16-20(11-13)12-14-4-2-3-9-22-14/h10-11,14H,2-9,12H2,1H3,(H,17,21).
What are the key properties of 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide?
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 121145358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).