1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine

C15H26N4S — CID 50963716

IUPAC1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine
SMILESCc1nn(CCN2CCSCC2)cc1CNCC1CC1
InChIInChI=1S/C15H26N4S/c1-13-15(11-16-10-14-2-3-14)12-19(17-13)5-4-18-6-8-20-9-7-18/h12,14,16H,2-11H2,1H3
InChIKeyHCBBCDNMBQGMGP-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.74
Rot. Bonds7

About 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine

1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 50963716) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine
PubChem CID50963716
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine
SMILESCc1nn(CCN2CCSCC2)cc1CNCC1CC1
InChIInChI=1S/C15H26N4S/c1-13-15(11-16-10-14-2-3-14)12-19(17-13)5-4-18-6-8-20-9-7-18/h12,14,16H,2-11H2,1H3
InChIKeyHCBBCDNMBQGMGP-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-({[3-methyl-1-(2-thiomorpholin-4-ylethyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]acetamide
CID 50959728
dimethyl({4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-3-yl}methyl)amine
CID 132398471
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-propan-2-ylpiperidin-2-yl]methanamine
CID 97244177
1-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 82511703
1-[[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 170071241
1-[[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 174286282
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7022274
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]thian-3-amine
CID 86787581
(3R)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]thian-3-amine
CID 97877588
(3S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]thian-3-amine
CID 97877589
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304
N-ethyl-2,2-dimethyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]thiomorpholine-4-carboximidamide
CID 109489179

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine (CID 50963716) is 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine is Cc1nn(CCN2CCSCC2)cc1CNCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is HCBBCDNMBQGMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-13-15(11-16-10-14-2-3-14)12-19(17-13)5-4-18-6-8-20-9-7-18/h12,14,16H,2-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine?
1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 294.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-methyl-1-(2-thiomorpholin-4-ylethyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 50963716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).