2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride

C18H26ClN5O — CID 120771390

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)C1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-18(13-19)7-8-22(14-18)12-17(24)20-9-15-10-21-23(11-15)16-5-3-2-4-6-16;/h2-6,10-11H,7-9,12-14,19H2,1H3,(H,20,24);1H
InChIKeyPEFNMMQPAKAFRN-UHFFFAOYSA-N
MW363.89 g/mol
LogP1.58
Rot. Bonds6

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride (PubChem CID 120771390) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride
PubChem CID120771390
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride
SMILESCC1(CN)CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)C1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-18(13-19)7-8-22(14-18)12-17(24)20-9-15-10-21-23(11-15)16-5-3-2-4-6-16;/h2-6,10-11H,7-9,12-14,19H2,1H3,(H,20,24);1H
InChIKeyPEFNMMQPAKAFRN-UHFFFAOYSA-N
XLogP1.58
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
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CID 32720733
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide;hydrochloride
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2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 120772005
1-(aminomethyl)-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 119699538
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
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N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
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2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 120771393
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 37340334
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride (CID 120771390) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride is CC1(CN)CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride?
The InChIKey is PEFNMMQPAKAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c1-18(13-19)7-8-22(14-18)12-17(24)20-9-15-10-21-23(11-15)16-5-3-2-4-6-16;/h2-6,10-11H,7-9,12-14,19H2,1H3,(H,20,24);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120771390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).