2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride

C14H20ClN5O2 — CID 154909937

IUPAC2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCc2n[nH]c3c2CCCCC3)co1
InChIInChI=1S/C14H19N5O2.ClH/c15-6-13-17-12(8-21-13)14(20)16-7-11-9-4-2-1-3-5-10(9)18-19-11;/h8H,1-7,15H2,(H,16,20)(H,18,19);1H
InChIKeyKHZXKKXEPUIUAJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.48
Rot. Bonds4

About 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 154909937) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID154909937
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCc2n[nH]c3c2CCCCC3)co1
InChIInChI=1S/C14H19N5O2.ClH/c15-6-13-17-12(8-21-13)14(20)16-7-11-9-4-2-1-3-5-10(9)18-19-11;/h8H,1-7,15H2,(H,16,20)(H,18,19);1H
InChIKeyKHZXKKXEPUIUAJ-UHFFFAOYSA-N
XLogP1.48
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 154909937) is 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)NCc2n[nH]c3c2CCCCC3)co1.
What is the InChIKey of 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is KHZXKKXEPUIUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c15-6-13-17-12(8-21-13)14(20)16-7-11-9-4-2-1-3-5-10(9)18-19-11;/h8H,1-7,15H2,(H,16,20)(H,18,19);1H.
What are the key properties of 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154909937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).