[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine

C18H26N4 — CID 95223952

IUPAC[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)c1ccc(-n2cc(CN3CC[C@@H](CN)C3)cn2)cc1
InChIInChI=1S/C18H26N4/c1-14(2)17-3-5-18(6-4-17)22-13-16(10-20-22)12-21-8-7-15(9-19)11-21/h3-6,10,13-15H,7-9,11-12,19H2,1-2H3/t15-/m0/s1
InChIKeyRPPKMUAQNWPARQ-HNNXBMFYSA-N
MW298.43 g/mol
LogP2.78
Rot. Bonds5

About [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine

[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 95223952) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID95223952
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC(C)c1ccc(-n2cc(CN3CC[C@@H](CN)C3)cn2)cc1
InChIInChI=1S/C18H26N4/c1-14(2)17-3-5-18(6-4-17)22-13-16(10-20-22)12-21-8-7-15(9-19)11-21/h3-6,10,13-15H,7-9,11-12,19H2,1-2H3/t15-/m0/s1
InChIKeyRPPKMUAQNWPARQ-HNNXBMFYSA-N
XLogP2.78
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
CID 77090296
4,4-difluoro-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]piperidine
CID 77082922
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 133117300
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955
(3R,4S)-4-hydroxy-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]-3-propylpiperidine-3-carboxylic acid
CID 163308872
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320
[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97124598
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine (CID 95223952) is [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine is CC(C)c1ccc(-n2cc(CN3CC[C@@H](CN)C3)cn2)cc1.
What is the InChIKey of [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is RPPKMUAQNWPARQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14(2)17-3-5-18(6-4-17)22-13-16(10-20-22)12-21-8-7-15(9-19)11-21/h3-6,10,13-15H,7-9,11-12,19H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 298.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 95223952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).