1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide

C19H29N5O2 — CID 86867503

IUPAC1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccnn2CC2CCOC2)nn1C(C)(C)C
InChIInChI=1S/C19H29N5O2/c1-13(2)16-10-15(22-24(16)19(3,4)5)18(25)21-17-6-8-20-23(17)11-14-7-9-26-12-14/h6,8,10,13-14H,7,9,11-12H2,1-5H3,(H,21,25)
InChIKeyDGMAKRDKPAGQGH-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.25
Rot. Bonds5

About 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide

1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 86867503) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID86867503
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccnn2CC2CCOC2)nn1C(C)(C)C
InChIInChI=1S/C19H29N5O2/c1-13(2)16-10-15(22-24(16)19(3,4)5)18(25)21-17-6-8-20-23(17)11-14-7-9-26-12-14/h6,8,10,13-14H,7,9,11-12H2,1-5H3,(H,21,25)
InChIKeyDGMAKRDKPAGQGH-UHFFFAOYSA-N
XLogP3.25
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867525
2,5-difluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 86867514
4-(1,3-dithiolan-2-yl)-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]benzamide
CID 97077993
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99712004
2-nitro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]benzamide
CID 75405962
(E)-3-(3,4-dichlorophenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 75364473
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-1,3-dihydroisoindole-2-carboxamide
CID 99713688
3-(2,4-dimethylphenyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51098799
1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99713787
1-(2,3-dihydro-1H-inden-2-yl)-3-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]urea
CID 99709604
(2S)-2-methyl-1-methylsulfonyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 52510936
2-methyl-1-methylsulfonyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-carboxamide
CID 51128391

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide (CID 86867503) is 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccnn2CC2CCOC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is DGMAKRDKPAGQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13(2)16-10-15(22-24(16)19(3,4)5)18(25)21-17-6-8-20-23(17)11-14-7-9-26-12-14/h6,8,10,13-14H,7,9,11-12H2,1-5H3,(H,21,25).
What are the key properties of 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 86867503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).