N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide

C16H20N4O — CID 68766913

IUPACN-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(Cn2cccn2)cc1)C1CCNC1
InChIInChI=1S/C16H20N4O/c1-19(15-7-9-17-11-15)16(21)14-5-3-13(4-6-14)12-20-10-2-8-18-20/h2-6,8,10,15,17H,7,9,11-12H2,1H3
InChIKeyDVAJCDXAFSGDOB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.37
Rot. Bonds4

About N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide

N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 68766913) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID68766913
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(Cn2cccn2)cc1)C1CCNC1
InChIInChI=1S/C16H20N4O/c1-19(15-7-9-17-11-15)16(21)14-5-3-13(4-6-14)12-20-10-2-8-18-20/h2-6,8,10,15,17H,7,9,11-12H2,1H3
InChIKeyDVAJCDXAFSGDOB-UHFFFAOYSA-N
XLogP1.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
CID 175264909
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
CID 119194650
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 68723933
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
4-[(cyclopentanecarbonylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552829
N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide
CID 69248313
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide (CID 68766913) is N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1ccc(Cn2cccn2)cc1)C1CCNC1.
What is the InChIKey of N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is DVAJCDXAFSGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(15-7-9-17-11-15)16(21)14-5-3-13(4-6-14)12-20-10-2-8-18-20/h2-6,8,10,15,17H,7,9,11-12H2,1H3.
What are the key properties of N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide?
N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 68766913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).