N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

C15H21N5O2 — CID 164641417

IUPACN-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cn1
InChIInChI=1S/C15H21N5O2/c1-10(2)20-8-12(7-16-20)15(21)17-14-6-13(18-19-14)11-4-3-5-22-9-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,17,18,19,21)/t11-/m0/s1
InChIKeyXCTHUMKYRKELLG-NSHDSACASA-N
MW303.37 g/mol
LogP2.33
Rot. Bonds4

About N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164641417) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID164641417
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cn1
InChIInChI=1S/C15H21N5O2/c1-10(2)20-8-12(7-16-20)15(21)17-14-6-13(18-19-14)11-4-3-5-22-9-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,17,18,19,21)/t11-/m0/s1
InChIKeyXCTHUMKYRKELLG-NSHDSACASA-N
XLogP2.33
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US11014911, Example 174
CID 154616636
US11014911, Example 320
CID 154616789
3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide
CID 164637129
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 138017040
N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide
CID 146103774
N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953532
5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1H-pyrazole-4-carboxamide
CID 72118654
[3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium
CID 154664668
[3-[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 155025439
[(1R,3S)-3-[3-[(1-methylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 163540843
ethane;[3-[3-[[1-(4-methylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] formate;N-methylpropan-2-amine
CID 166117885
[(1R,3S)-3-[3-[[1-(4-propan-2-ylcyclohexyl)pyrazole-4-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 166118096

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164641417) is N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cn1.
What is the InChIKey of N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is XCTHUMKYRKELLG-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10(2)20-8-12(7-16-20)15(21)17-14-6-13(18-19-14)11-4-3-5-22-9-11/h6-8,10-11H,3-5,9H2,1-2H3,(H2,17,18,19,21)/t11-/m0/s1.
What are the key properties of N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164641417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).