N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide

C11H18N4O — CID 106607976

IUPACN-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCN(CC1CCCN1)C(=O)Cn1cccn1
InChIInChI=1S/C11H18N4O/c1-14(8-10-4-2-5-12-10)11(16)9-15-7-3-6-13-15/h3,6-7,10,12H,2,4-5,8-9H2,1H3
InChIKeyTWBDOTMRZWDTTF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.09
Rot. Bonds4

About N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide

N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106607976) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106607976
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCN(CC1CCCN1)C(=O)Cn1cccn1
InChIInChI=1S/C11H18N4O/c1-14(8-10-4-2-5-12-10)11(16)9-15-7-3-6-13-15/h3,6-7,10,12H,2,4-5,8-9H2,1H3
InChIKeyTWBDOTMRZWDTTF-UHFFFAOYSA-N
XLogP0.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607972
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106607472
N-(2-hydroxyethyl)-3-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612969
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
2-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607818
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 106629183
N-cyclopropyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 104974023
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94017188
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627006
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106611713

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106607976) is N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide is CN(CC1CCCN1)C(=O)Cn1cccn1.
What is the InChIKey of N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is TWBDOTMRZWDTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14(8-10-4-2-5-12-10)11(16)9-15-7-3-6-13-15/h3,6-7,10,12H,2,4-5,8-9H2,1H3.
What are the key properties of N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrazol-1-yl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106607976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).