1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide

C16H25N3O3 — CID 97338354

IUPAC1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cnn1C
InChIInChI=1S/C16H25N3O3/c1-11-4-6-16(7-5-11)21-10-13(22-16)8-17-15(20)14-9-18-19(3)12(14)2/h9,11,13H,4-8,10H2,1-3H3,(H,17,20)/t11?,13-,16?/m0/s1
InChIKeyMIFGHYOEAYMRFR-ULKWEWGCSA-N
MW307.39 g/mol
LogP1.78
Rot. Bonds3

About 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 97338354) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID97338354
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cnn1C
InChIInChI=1S/C16H25N3O3/c1-11-4-6-16(7-5-11)21-10-13(22-16)8-17-15(20)14-9-18-19(3)12(14)2/h9,11,13H,4-8,10H2,1-3H3,(H,17,20)/t11?,13-,16?/m0/s1
InChIKeyMIFGHYOEAYMRFR-ULKWEWGCSA-N
XLogP1.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide (CID 97338354) is 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is MIFGHYOEAYMRFR-ULKWEWGCSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-4-6-16(7-5-11)21-10-13(22-16)8-17-15(20)14-9-18-19(3)12(14)2/h9,11,13H,4-8,10H2,1-3H3,(H,17,20)/t11?,13-,16?/m0/s1.
What are the key properties of 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97338354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).