1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C21H26ClN5 — CID 120909014

IUPAC1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1N.Cl
InChIInChI=1S/C21H25N5.ClH/c1-16-11-25(15-20(16)22)13-19-14-26(12-17-6-3-2-4-7-17)24-21(19)18-8-5-9-23-10-18;/h2-10,14,16,20H,11-13,15,22H2,1H3;1H
InChIKeyKAIMAJRSKPVAJE-UHFFFAOYSA-N
MW383.93 g/mol
LogP3.19
Rot. Bonds5

About 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909014) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909014
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1N.Cl
InChIInChI=1S/C21H25N5.ClH/c1-16-11-25(15-20(16)22)13-19-14-26(12-17-6-3-2-4-7-17)24-21(19)18-8-5-9-23-10-18;/h2-10,14,16,20H,11-13,15,22H2,1H3;1H
InChIKeyKAIMAJRSKPVAJE-UHFFFAOYSA-N
XLogP3.19
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909014) is 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1N.Cl.
What is the InChIKey of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KAIMAJRSKPVAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5.ClH/c1-16-11-25(15-20(16)22)13-19-14-26(12-17-6-3-2-4-7-17)24-21(19)18-8-5-9-23-10-18;/h2-10,14,16,20H,11-13,15,22H2,1H3;1H.
What are the key properties of 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 383.93 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).