(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C19H25ClN4O — CID 119541281

IUPAC(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-20-11-14-9-10-22(13-14)19(24)17-12-21-23(18(17)15-7-8-15)16-5-3-2-4-6-16;/h2-6,12,14-15,20H,7-11,13H2,1H3;1H
InChIKeyNCJLVJCRFDKAER-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.85
Rot. Bonds5

About (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119541281) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119541281
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-20-11-14-9-10-22(13-14)19(24)17-12-21-23(18(17)15-7-8-15)16-5-3-2-4-6-16;/h2-6,12,14-15,20H,7-11,13H2,1H3;1H
InChIKeyNCJLVJCRFDKAER-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647191
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51933899
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538582
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 120806575
(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541772
(1,5-diphenyl-1,2,4-triazol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538948
2-[[4-(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607006
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119541281) is (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)C1.Cl.
What is the InChIKey of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is NCJLVJCRFDKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-20-11-14-9-10-22(13-14)19(24)17-12-21-23(18(17)15-7-8-15)16-5-3-2-4-6-16;/h2-6,12,14-15,20H,7-11,13H2,1H3;1H.
What are the key properties of (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119541281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).