N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine

C14H23N3OS — CID 107761321

IUPACN-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(SC2CCOC2C)c1CNC1CC1
InChIInChI=1S/C14H23N3OS/c1-9-12(8-15-11-4-5-11)14(17(3)16-9)19-13-6-7-18-10(13)2/h10-11,13,15H,4-8H2,1-3H3
InChIKeyRZEGYGBVNNQAEX-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.25
Rot. Bonds5

About N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 107761321) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID107761321
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(SC2CCOC2C)c1CNC1CC1
InChIInChI=1S/C14H23N3OS/c1-9-12(8-15-11-4-5-11)14(17(3)16-9)19-13-6-7-18-10(13)2/h10-11,13,15H,4-8H2,1-3H3
InChIKeyRZEGYGBVNNQAEX-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-amine
CID 107747553
N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 55239058
N-[[5-(3,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 63807981
N-[[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 63814528
5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63804974
N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 102926098
methyl 3-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylpropanoate
CID 63809082
4-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-dimethylpyrazol-5-amine
CID 43280325
N-[[1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-yl]methyl]ethanamine
CID 63814686
N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114538619
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol
CID 81194100

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine (CID 107761321) is N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(C)c(SC2CCOC2C)c1CNC1CC1.
What is the InChIKey of N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is RZEGYGBVNNQAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9-12(8-15-11-4-5-11)14(17(3)16-9)19-13-6-7-18-10(13)2/h10-11,13,15H,4-8H2,1-3H3.
What are the key properties of N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 281.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107761321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).