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

C18H27N5O2 — CID 75390413

IUPAC5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1C
InChIInChI=1S/C18H27N5O2/c1-4-14(5-2)23-12(3)15(11-19-23)18(24)20-17-10-16(21-22-17)13-6-8-25-9-7-13/h10-11,13-14H,4-9H2,1-3H3,(H2,20,21,22,24)
InChIKeyBPMQXXDNOACWHD-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.42
Rot. Bonds6

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

5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 75390413) 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]-1-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide
PubChem CID75390413
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)n1ncc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1C
InChIInChI=1S/C18H27N5O2/c1-4-14(5-2)23-12(3)15(11-19-23)18(24)20-17-10-16(21-22-17)13-6-8-25-9-7-13/h10-11,13-14H,4-9H2,1-3H3,(H2,20,21,22,24)
InChIKeyBPMQXXDNOACWHD-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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Related Compounds

4-(azetidine-1-carbonyl)-N-(5-cyclohexyl-1H-pyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415338
US11014911, Example 174
CID 154616636
US11014911, Example 320
CID 154616789
N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 72118701
3-(1-methylpyrazol-4-yl)-N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]propanamide
CID 164637129
N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164641417
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53574447
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 56826862
1-propan-2-yl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 60240501
N-(5-cycloheptyl-1H-pyrazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 72009056
1-(2-fluorophenyl)-5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 72121149
N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide
CID 146103774

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide (CID 75390413) is 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)n1ncc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1C.
What is the InChIKey of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is BPMQXXDNOACWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-14(5-2)23-12(3)15(11-19-23)18(24)20-17-10-16(21-22-17)13-6-8-25-9-7-13/h10-11,13-14H,4-9H2,1-3H3,(H2,20,21,22,24).
What are the key properties of 5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-carboxamide?
5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-1-pentan-3-ylpyrazole-4-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]-1-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 75390413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).