N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C17H26N6O — CID 95757763

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C17H26N6O/c1-10-16(13(4)22(5)21-10)14-7-6-8-23(14)9-15(24)18-17-11(2)19-20-12(17)3/h14H,6-9H2,1-5H3,(H,18,24)(H,19,20)/t14-/m0/s1
InChIKeyUPWFHAOMSZPLNB-AWEZNQCLSA-N
MW330.44 g/mol
LogP2.15
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 95757763) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID95757763
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C
InChIInChI=1S/C17H26N6O/c1-10-16(13(4)22(5)21-10)14-7-6-8-23(14)9-15(24)18-17-11(2)19-20-12(17)3/h14H,6-9H2,1-5H3,(H,18,24)(H,19,20)/t14-/m0/s1
InChIKeyUPWFHAOMSZPLNB-AWEZNQCLSA-N
XLogP2.15
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 95757763) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCC[C@H]1c1c(C)nn(C)c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is UPWFHAOMSZPLNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6O/c1-10-16(13(4)22(5)21-10)14-7-6-8-23(14)9-15(24)18-17-11(2)19-20-12(17)3/h14H,6-9H2,1-5H3,(H,18,24)(H,19,20)/t14-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95757763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).