N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine

C15H21N3O2S — CID 154763580

IUPACN-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine
SMILESCOCc1csc(CNc2cnn(C3CCOC3)c2C)c1
InChIInChI=1S/C15H21N3O2S/c1-11-15(7-17-18(11)13-3-4-20-9-13)16-6-14-5-12(8-19-2)10-21-14/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3
InChIKeyYVJOCYKFMDXJBB-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.97
Rot. Bonds6

About N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine

N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine (PubChem CID 154763580) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine
PubChem CID154763580
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine
SMILESCOCc1csc(CNc2cnn(C3CCOC3)c2C)c1
InChIInChI=1S/C15H21N3O2S/c1-11-15(7-17-18(11)13-3-4-20-9-13)16-6-14-5-12(8-19-2)10-21-14/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3
InChIKeyYVJOCYKFMDXJBB-UHFFFAOYSA-N
XLogP2.97
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-[5-methyl-1-(oxolan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 131984442
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
CID 167866692
4-methyl-1-(oxolan-3-yl)-5-propan-2-ylpyrazole
CID 174248923
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 115899682
5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine
CID 167774575
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
6-(2-methyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]indazol-5-amine
CID 171554154
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
7-N-(cyclopropylmethyl)-6-fluoro-2-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidine-2,7-diamine
CID 162748230
2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 138036914

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine?
The IUPAC name of N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine (CID 154763580) is N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine?
The canonical SMILES for N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine is COCc1csc(CNc2cnn(C3CCOC3)c2C)c1.
What is the InChIKey of N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine?
The InChIKey is YVJOCYKFMDXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-15(7-17-18(11)13-3-4-20-9-13)16-6-14-5-12(8-19-2)10-21-14/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine?
N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine has a molecular weight of 307.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)thiophen-2-yl]methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 154763580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).