N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine

C12H21N3S — CID 105148124

IUPACN-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
SMILESCCCn1nccc1C(NC)C1CCSC1
InChIInChI=1S/C12H21N3S/c1-3-7-15-11(4-6-14-15)12(13-2)10-5-8-16-9-10/h4,6,10,12-13H,3,5,7-9H2,1-2H3
InChIKeyWDNUAXDUBGRSTP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.31
Rot. Bonds5

About N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine

N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine (PubChem CID 105148124) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
PubChem CID105148124
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
SMILESCCCn1nccc1C(NC)C1CCSC1
InChIInChI=1S/C12H21N3S/c1-3-7-15-11(4-6-14-15)12(13-2)10-5-8-16-9-10/h4,6,10,12-13H,3,5,7-9H2,1-2H3
InChIKeyWDNUAXDUBGRSTP-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115387757
N-methyl-1-(2-propylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 65405561
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 79963660
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
[(3-ethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105233440
[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
CID 105336726
tert-butyl 3-[methylamino-(2-propylpyrazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092403

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine (CID 105148124) is N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine is CCCn1nccc1C(NC)C1CCSC1.
What is the InChIKey of N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine?
The InChIKey is WDNUAXDUBGRSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-7-15-11(4-6-14-15)12(13-2)10-5-8-16-9-10/h4,6,10,12-13H,3,5,7-9H2,1-2H3.
What are the key properties of N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine?
N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105148124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).