N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide

C17H22N4O — CID 146146158

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide
SMILESCN1CCCC1CN(C=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H22N4O/c1-19-10-2-4-17(19)13-20(14-22)12-15-5-7-16(8-6-15)21-11-3-9-18-21/h3,5-9,11,14,17H,2,4,10,12-13H2,1H3
InChIKeyAUTXRWJVRPIMGK-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.92
Rot. Bonds6

About N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide

N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide (PubChem CID 146146158) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide
PubChem CID146146158
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide
SMILESCN1CCCC1CN(C=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H22N4O/c1-19-10-2-4-17(19)13-20(14-22)12-15-5-7-16(8-6-15)21-11-3-9-18-21/h3,5-9,11,14,17H,2,4,10,12-13H2,1H3
InChIKeyAUTXRWJVRPIMGK-UHFFFAOYSA-N
XLogP1.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 138387699
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
methyl 1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027872
(3S,8aS)-3-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165424262
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287
3-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 60840230
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-pyrazol-1-ylphenyl)ethanone
CID 78875687

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide (CID 146146158) is N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide is CN1CCCC1CN(C=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide?
The InChIKey is AUTXRWJVRPIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-19-10-2-4-17(19)13-20(14-22)12-15-5-7-16(8-6-15)21-11-3-9-18-21/h3,5-9,11,14,17H,2,4,10,12-13H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide has a molecular weight of 298.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]formamide is sourced from PubChem (CID 146146158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).