1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine

C11H15N5OS — CID 43745591

IUPAC1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine
SMILESc1nn(CC2CCCO2)cc1NCc1csnn1
InChIInChI=1S/C11H15N5OS/c1-2-11(17-3-1)7-16-6-9(5-13-16)12-4-10-8-18-15-14-10/h5-6,8,11-12H,1-4,7H2
InChIKeyJDRVSBWSRXOABJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.53
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine

1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine (PubChem CID 43745591) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine
PubChem CID43745591
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine
SMILESc1nn(CC2CCCO2)cc1NCc1csnn1
InChIInChI=1S/C11H15N5OS/c1-2-11(17-3-1)7-16-6-9(5-13-16)12-4-10-8-18-15-14-10/h5-6,8,11-12H,1-4,7H2
InChIKeyJDRVSBWSRXOABJ-UHFFFAOYSA-N
XLogP1.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
CID 66269619
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66415350
2-bromo-4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]phenol
CID 63046936
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 66160337
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 171607061
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
4-(oxolan-2-yl)-N-(thiadiazol-4-ylmethyl)butan-2-amine
CID 115905222
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine (CID 43745591) is 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine is c1nn(CC2CCCO2)cc1NCc1csnn1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
The InChIKey is JDRVSBWSRXOABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-2-11(17-3-1)7-16-6-9(5-13-16)12-4-10-8-18-15-14-10/h5-6,8,11-12H,1-4,7H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine?
1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).