(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride

C13H21ClN4O2 — CID 120796703

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCl.Cn1nc2c(c1NC(=O)[C@@H]1CC[C@H](CN)O1)CCC2
InChIInChI=1S/C13H20N4O2.ClH/c1-17-12(9-3-2-4-10(9)16-17)15-13(18)11-6-5-8(7-14)19-11;/h8,11H,2-7,14H2,1H3,(H,15,18);1H/t8-,11+;/m1./s1
InChIKeyVXHNDWFBMFVNLY-NINOIYOQSA-N
MW300.79 g/mol
LogP0.78
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120796703) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120796703
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
SMILESCl.Cn1nc2c(c1NC(=O)[C@@H]1CC[C@H](CN)O1)CCC2
InChIInChI=1S/C13H20N4O2.ClH/c1-17-12(9-3-2-4-10(9)16-17)15-13(18)11-6-5-8(7-14)19-11;/h8,11H,2-7,14H2,1H3,(H,15,18);1H/t8-,11+;/m1./s1
InChIKeyVXHNDWFBMFVNLY-NINOIYOQSA-N
XLogP0.78
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120783563
(2S,5R)-5-(aminomethyl)-N-(2-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 120786012
(2S,5R)-5-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120789309
2-(cyclopropylmethylamino)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 119822846
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120794901
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
CID 120794437
(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 137104607
(2S,5R)-5-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120783473
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566
2-amino-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pentanamide
CID 119345963
(2S,5R)-5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)oxolane-2-carboxamide;hydrochloride
CID 120783405
2-(4-aminophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide;hydrochloride
CID 119822829

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride (CID 120796703) is (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride is Cl.Cn1nc2c(c1NC(=O)[C@@H]1CC[C@H](CN)O1)CCC2.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is VXHNDWFBMFVNLY-NINOIYOQSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-17-12(9-3-2-4-10(9)16-17)15-13(18)11-6-5-8(7-14)19-11;/h8,11H,2-7,14H2,1H3,(H,15,18);1H/t8-,11+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120796703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).