(2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride

C15H19ClN4O2 — CID 120782490

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)O1
InChIInChI=1S/C15H18N4O2.ClH/c16-9-12-5-6-14(21-12)15(20)18-11-3-1-10(2-4-11)13-7-8-17-19-13;/h1-4,7-8,12,14H,5-6,9,16H2,(H,17,19)(H,18,20);1H/t12-,14+;/m1./s1
InChIKeyPRTKRKINOOXEQV-OJMBIDBESA-N
MW322.80 g/mol
LogP1.94
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120782490) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120782490
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)O1
InChIInChI=1S/C15H18N4O2.ClH/c16-9-12-5-6-14(21-12)15(20)18-11-3-1-10(2-4-11)13-7-8-17-19-13;/h1-4,7-8,12,14H,5-6,9,16H2,(H,17,19)(H,18,20);1H/t12-,14+;/m1./s1
InChIKeyPRTKRKINOOXEQV-OJMBIDBESA-N
XLogP1.94
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120792777
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[4-(oxan-4-ylamino)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120799689
(2S,5R)-5-(aminomethyl)-N-(4-propan-2-ylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782887
(2S,5R)-5-(aminomethyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785137
(2S,5R)-5-(aminomethyl)-N-[4-(pyridin-4-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120799964
(2S,5R)-5-(aminomethyl)-N-[3-(phenylcarbamoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785329
(2S,5R)-5-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 120782892

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride (CID 120782490) is (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccn[nH]3)cc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is PRTKRKINOOXEQV-OJMBIDBESA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c16-9-12-5-6-14(21-12)15(20)18-11-3-1-10(2-4-11)13-7-8-17-19-13;/h1-4,7-8,12,14H,5-6,9,16H2,(H,17,19)(H,18,20);1H/t12-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[4-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120782490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).