N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

C17H25N5O3 — CID 164632627

IUPACN-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCO[C@H]1CCOC[C@@H]1NC(=O)c1cc(-c2c(C)nn(C)c2C)nn1C
InChIInChI=1S/C17H25N5O3/c1-10-16(11(2)21(3)19-10)12-8-14(22(4)20-12)17(23)18-13-9-25-7-6-15(13)24-5/h8,13,15H,6-7,9H2,1-5H3,(H,18,23)/t13-,15-/m0/s1
InChIKeyWERLPJXOIGOUIJ-ZFWWWQNUSA-N
MW347.42 g/mol
LogP0.97
Rot. Bonds4

About N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 164632627) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID164632627
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCO[C@H]1CCOC[C@@H]1NC(=O)c1cc(-c2c(C)nn(C)c2C)nn1C
InChIInChI=1S/C17H25N5O3/c1-10-16(11(2)21(3)19-10)12-8-14(22(4)20-12)17(23)18-13-9-25-7-6-15(13)24-5/h8,13,15H,6-7,9H2,1-5H3,(H,18,23)/t13-,15-/m0/s1
InChIKeyWERLPJXOIGOUIJ-ZFWWWQNUSA-N
XLogP0.97
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 164632627) is N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is CO[C@H]1CCOC[C@@H]1NC(=O)c1cc(-c2c(C)nn(C)c2C)nn1C.
What is the InChIKey of N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is WERLPJXOIGOUIJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10-16(11(2)21(3)19-10)12-8-14(22(4)20-12)17(23)18-13-9-25-7-6-15(13)24-5/h8,13,15H,6-7,9H2,1-5H3,(H,18,23)/t13-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxyoxan-3-yl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 164632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).