(3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C20H30N4O — CID 94822014

IUPAC(3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCOc1c(CN[C@@H]2CCN(Cc3ccccc3)C2)c(C(C)C)nn1C
InChIInChI=1S/C20H30N4O/c1-15(2)19-18(20(25-4)23(3)22-19)12-21-17-10-11-24(14-17)13-16-8-6-5-7-9-16/h5-9,15,17,21H,10-14H2,1-4H3/t17-/m1/s1
InChIKeyLWAHBDGRWVQQSE-QGZVFWFLSA-N
MW342.49 g/mol
LogP2.92
Rot. Bonds7

About (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine

(3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 94822014) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID94822014
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCOc1c(CN[C@@H]2CCN(Cc3ccccc3)C2)c(C(C)C)nn1C
InChIInChI=1S/C20H30N4O/c1-15(2)19-18(20(25-4)23(3)22-19)12-21-17-10-11-24(14-17)13-16-8-6-5-7-9-16/h5-9,15,17,21H,10-14H2,1-4H3/t17-/m1/s1
InChIKeyLWAHBDGRWVQQSE-QGZVFWFLSA-N
XLogP2.92
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56679054
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 94822014) is (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine is COc1c(CN[C@@H]2CCN(Cc3ccccc3)C2)c(C(C)C)nn1C.
What is the InChIKey of (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is LWAHBDGRWVQQSE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15(2)19-18(20(25-4)23(3)22-19)12-21-17-10-11-24(14-17)13-16-8-6-5-7-9-16/h5-9,15,17,21H,10-14H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
(3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 342.49 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 94822014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).