N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C16H23N5O2 — CID 71703462

IUPACN-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCC2CCOCC2)[nH]n1
InChIInChI=1S/C16H23N5O2/c1-10-15(11(2)21(3)20-10)13-8-14(19-18-13)16(22)17-9-12-4-6-23-7-5-12/h8,12H,4-7,9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyCTLMTIJQLUSHMT-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.58
Rot. Bonds4

About N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 71703462) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID71703462
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCC2CCOCC2)[nH]n1
InChIInChI=1S/C16H23N5O2/c1-10-15(11(2)21(3)20-10)13-8-14(19-18-13)16(22)17-9-12-4-6-23-7-5-12/h8,12H,4-7,9H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyCTLMTIJQLUSHMT-UHFFFAOYSA-N
XLogP1.58
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10022354, Example 5
CID 121279569
US10022354, Example 183
CID 121279732
US10022354, Example 54
CID 121279690
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
3-N-methyl-5-N-(oxan-4-yl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418113
US10022354, Example 156
CID 121279662
US10022354, Example 155
CID 121279664
US10022354, Example 157
CID 121279666
US10022354, Example 126
CID 121279535
US10022354, Example 22
CID 121279561
US10022354, Example 75
CID 121279708
US10022354, Example 212
CID 132070226

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 71703462) is N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCC2CCOCC2)[nH]n1.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is CTLMTIJQLUSHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-15(11(2)21(3)20-10)13-8-14(19-18-13)16(22)17-9-12-4-6-23-7-5-12/h8,12H,4-7,9H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71703462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).