1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol

C14H20N4OS — CID 61433977

IUPAC1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESNc1cnn(CC(O)CN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C14H20N4OS/c15-12-5-16-18(7-12)9-14(19)8-17(13-1-2-13)6-11-3-4-20-10-11/h3-5,7,10,13-14,19H,1-2,6,8-9,15H2
InChIKeyPTCUCAJJXXMLSF-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.55
Rot. Bonds7

About 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 61433977) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID61433977
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESNc1cnn(CC(O)CN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C14H20N4OS/c15-12-5-16-18(7-12)9-14(19)8-17(13-1-2-13)6-11-3-4-20-10-11/h3-5,7,10,13-14,19H,1-2,6,8-9,15H2
InChIKeyPTCUCAJJXXMLSF-UHFFFAOYSA-N
XLogP1.55
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 61433977) is 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol is Nc1cnn(CC(O)CN(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is PTCUCAJJXXMLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c15-12-5-16-18(7-12)9-14(19)8-17(13-1-2-13)6-11-3-4-20-10-11/h3-5,7,10,13-14,19H,1-2,6,8-9,15H2.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 292.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 61433977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).