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

C18H27N5O2 — CID 75444541

IUPAC5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)Nc1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C18H27N5O2/c1-4-14(5-2)23-16(10-12(3)22-23)18(24)19-17-11-15(20-21-17)13-6-8-25-9-7-13/h10-11,13-14H,4-9H2,1-3H3,(H2,19,20,21,24)
InChIKeyAOXVLVFGVNDHRK-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.42
Rot. Bonds6

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

5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 75444541) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide
PubChem CID75444541
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)Nc1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C18H27N5O2/c1-4-14(5-2)23-16(10-12(3)22-23)18(24)19-17-11-15(20-21-17)13-6-8-25-9-7-13/h10-11,13-14H,4-9H2,1-3H3,(H2,19,20,21,24)
InChIKeyAOXVLVFGVNDHRK-UHFFFAOYSA-N
XLogP3.42
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide (CID 75444541) is 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C2CCOCC2)[nH]n1.
What is the InChIKey of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is AOXVLVFGVNDHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-14(5-2)23-16(10-12(3)22-23)18(24)19-17-11-15(20-21-17)13-6-8-25-9-7-13/h10-11,13-14H,4-9H2,1-3H3,(H2,19,20,21,24).
What are the key properties of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide?
5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 75444541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).