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

C11H15N5O — CID 112528463

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H15N5O/c1-7-10(8(2)15-14-7)6-12-11(17)5-9-3-4-13-16-9/h3-4H,5-6H2,1-2H3,(H,12,17)(H,13,16)(H,14,15)
InChIKeyQKLNMEMVPBQEKK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.61
Rot. Bonds4

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 112528463) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID112528463
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H15N5O/c1-7-10(8(2)15-14-7)6-12-11(17)5-9-3-4-13-16-9/h3-4H,5-6H2,1-2H3,(H,12,17)(H,13,16)(H,14,15)
InChIKeyQKLNMEMVPBQEKK-UHFFFAOYSA-N
XLogP0.61
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 110460201
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
2-(1H-pyrazol-5-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385153
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64532408

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide (CID 112528463) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide is Cc1n[nH]c(C)c1CNC(=O)Cc1ccn[nH]1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is QKLNMEMVPBQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-10(8(2)15-14-7)6-12-11(17)5-9-3-4-13-16-9/h3-4H,5-6H2,1-2H3,(H,12,17)(H,13,16)(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 112528463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).