(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C17H23ClN4O — CID 119649968

IUPAC(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-18-11-16-8-5-9-21(16)17(22)15-10-19-20(13-15)12-14-6-3-2-4-7-14;/h2-4,6-7,10,13,16,18H,5,8-9,11-12H2,1H3;1H
InChIKeyMHSGYYQYDQKYOF-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.18
Rot. Bonds5

About (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119649968) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119649968
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cnn(Cc2ccccc2)c1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-18-11-16-8-5-9-21(16)17(22)15-10-19-20(13-15)12-14-6-3-2-4-7-14;/h2-4,6-7,10,13,16,18H,5,8-9,11-12H2,1H3;1H
InChIKeyMHSGYYQYDQKYOF-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
3-amino-N-[[1-(1-benzylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578527
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570179
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119649171
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24653748
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119649968) is (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCCN1C(=O)c1cnn(Cc2ccccc2)c1.Cl.
What is the InChIKey of (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is MHSGYYQYDQKYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-18-11-16-8-5-9-21(16)17(22)15-10-19-20(13-15)12-14-6-3-2-4-7-14;/h2-4,6-7,10,13,16,18H,5,8-9,11-12H2,1H3;1H.
What are the key properties of (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
(1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119649968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).