2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide

C10H12N4O — CID 106385153

IUPAC2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(Cc1ccn[nH]1)NCc1cc[nH]c1
InChIInChI=1S/C10H12N4O/c15-10(5-9-2-4-13-14-9)12-7-8-1-3-11-6-8/h1-4,6,11H,5,7H2,(H,12,15)(H,13,14)
InChIKeySQGTZIJNMVJXRX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.60
Rot. Bonds4

About 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide

2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106385153) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106385153
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(Cc1ccn[nH]1)NCc1cc[nH]c1
InChIInChI=1S/C10H12N4O/c15-10(5-9-2-4-13-14-9)12-7-8-1-3-11-6-8/h1-4,6,11H,5,7H2,(H,12,15)(H,13,14)
InChIKeySQGTZIJNMVJXRX-UHFFFAOYSA-N
XLogP0.60
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79040356
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 110782736
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106385153) is 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide is O=C(Cc1ccn[nH]1)NCc1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is SQGTZIJNMVJXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-10(5-9-2-4-13-14-9)12-7-8-1-3-11-6-8/h1-4,6,11H,5,7H2,(H,12,15)(H,13,14).
What are the key properties of 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 204.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106385153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).