N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

C21H25N5O — CID 166195374

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2c[nH]cc2-c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C21H25N5O/c1-24-9-8-16(13-24)14-25(2)21(27)20-12-22-11-19(20)17-10-23-26(15-17)18-6-4-3-5-7-18/h3-7,10-12,15-16,22H,8-9,13-14H2,1-2H3
InChIKeySYYJOBTWSOKTTD-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.89
Rot. Bonds5

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 166195374) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID166195374
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2c[nH]cc2-c2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C21H25N5O/c1-24-9-8-16(13-24)14-25(2)21(27)20-12-22-11-19(20)17-10-23-26(15-17)18-6-4-3-5-7-18/h3-7,10-12,15-16,22H,8-9,13-14H2,1-2H3
InChIKeySYYJOBTWSOKTTD-UHFFFAOYSA-N
XLogP2.89
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
CID 47069919
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034
N-methyl-2-(1-methylimidazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70744638
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 63275138
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 113265016
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63235520

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide (CID 166195374) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is CN1CCC(CN(C)C(=O)c2c[nH]cc2-c2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is SYYJOBTWSOKTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-24-9-8-16(13-24)14-25(2)21(27)20-12-22-11-19(20)17-10-23-26(15-17)18-6-4-3-5-7-18/h3-7,10-12,15-16,22H,8-9,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(1-phenylpyrazol-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 166195374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).