(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

C20H24ClN5 — CID 120770095

IUPAC(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.Cn1cc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c(-c2cccnc2)n1
InChIInChI=1S/C20H23N5.ClH/c1-24-11-17(20(23-24)16-8-5-9-22-10-16)12-25-13-18(19(21)14-25)15-6-3-2-4-7-15;/h2-11,18-19H,12-14,21H2,1H3;1H/t18-,19+;/m0./s1
InChIKeyCUJGOBFISBSAKC-GRTNUQQKSA-N
MW369.90 g/mol
LogP2.83
Rot. Bonds4

About (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 120770095) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID120770095
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.Cn1cc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c(-c2cccnc2)n1
InChIInChI=1S/C20H23N5.ClH/c1-24-11-17(20(23-24)16-8-5-9-22-10-16)12-25-13-18(19(21)14-25)15-6-3-2-4-7-15;/h2-11,18-19H,12-14,21H2,1H3;1H/t18-,19+;/m0./s1
InChIKeyCUJGOBFISBSAKC-GRTNUQQKSA-N
XLogP2.83
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (CID 120770095) is (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is Cl.Cn1cc(CN2C[C@@H](N)[C@H](c3ccccc3)C2)c(-c2cccnc2)n1.
What is the InChIKey of (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is CUJGOBFISBSAKC-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H23N5.ClH/c1-24-11-17(20(23-24)16-8-5-9-22-10-16)12-25-13-18(19(21)14-25)15-6-3-2-4-7-15;/h2-11,18-19H,12-14,21H2,1H3;1H/t18-,19+;/m0./s1.
What are the key properties of (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120770095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).