N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide

C16H23N5O2 — CID 99631581

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCOC[C@H]1c1cccn1C
InChIInChI=1S/C16H23N5O2/c1-11-16(12(2)19-18-11)17-15(22)9-21-7-8-23-10-14(21)13-5-4-6-20(13)3/h4-6,14H,7-10H2,1-3H3,(H,17,22)(H,18,19)/t14-/m0/s1
InChIKeyBMFXLOHEFPJTSU-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.38
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide (PubChem CID 99631581) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
PubChem CID99631581
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCOC[C@H]1c1cccn1C
InChIInChI=1S/C16H23N5O2/c1-11-16(12(2)19-18-11)17-15(22)9-21-7-8-23-10-14(21)13-5-4-6-20(13)3/h4-6,14H,7-10H2,1-3H3,(H,17,22)(H,18,19)/t14-/m0/s1
InChIKeyBMFXLOHEFPJTSU-AWEZNQCLSA-N
XLogP1.38
TPSA75.18 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 ≤ 51.38
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-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide (CID 99631581) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCOC[C@H]1c1cccn1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
The InChIKey is BMFXLOHEFPJTSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-16(12(2)19-18-11)17-15(22)9-21-7-8-23-10-14(21)13-5-4-6-20(13)3/h4-6,14H,7-10H2,1-3H3,(H,17,22)(H,18,19)/t14-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.38, 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-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide is sourced from PubChem (CID 99631581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).