1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine

C14H23N5S — CID 60938257

IUPAC1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2cnc(C)s2)cn1
InChIInChI=1S/C14H23N5S/c1-4-18(5-2)6-7-19-11-13(8-17-19)16-10-14-9-15-12(3)20-14/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyNUUVFUYVIGLYIX-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.60
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine

1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine (PubChem CID 60938257) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
PubChem CID60938257
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2cnc(C)s2)cn1
InChIInChI=1S/C14H23N5S/c1-4-18(5-2)6-7-19-11-13(8-17-19)16-10-14-9-15-12(3)20-14/h8-9,11,16H,4-7,10H2,1-3H3
InChIKeyNUUVFUYVIGLYIX-UHFFFAOYSA-N
XLogP2.60
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine (CID 60938257) is 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine is CCN(CC)CCn1cc(NCc2cnc(C)s2)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
The InChIKey is NUUVFUYVIGLYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-4-18(5-2)6-7-19-11-13(8-17-19)16-10-14-9-15-12(3)20-14/h8-9,11,16H,4-7,10H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine?
1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine has a molecular weight of 293.44 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 60938257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).