7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride

C15H26ClN5O2 — CID 119795297

IUPAC7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
SMILESCl.Cn1cc(N2CCC(NC(=O)CCCCCCN)C2=O)cn1
InChIInChI=1S/C15H25N5O2.ClH/c1-19-11-12(10-17-19)20-9-7-13(15(20)22)18-14(21)6-4-2-3-5-8-16;/h10-11,13H,2-9,16H2,1H3,(H,18,21);1H
InChIKeySNQYZWKNOHAPTR-UHFFFAOYSA-N
MW343.86 g/mol
LogP0.97
Rot. Bonds8

About 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride

7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride (PubChem CID 119795297) has the molecular formula C15H26ClN5O2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
PubChem CID119795297
Molecular FormulaC15H26ClN5O2
Molecular Weight343.86 g/mol
Exact Mass343.18
IUPAC Name7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
SMILESCl.Cn1cc(N2CCC(NC(=O)CCCCCCN)C2=O)cn1
InChIInChI=1S/C15H25N5O2.ClH/c1-19-11-12(10-17-19)20-9-7-13(15(20)22)18-14(21)6-4-2-3-5-8-16;/h10-11,13H,2-9,16H2,1H3,(H,18,21);1H
InChIKeySNQYZWKNOHAPTR-UHFFFAOYSA-N
XLogP0.97
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119802718
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
(2S,5R)-5-(aminomethyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]oxolane-2-carboxamide;hydrochloride
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3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
(2S)-2-amino-3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]butanamide
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(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 120668675
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride
CID 119750177
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(4-propyl-1,3-thiazol-2-yl)urea
CID 122138634

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride (CID 119795297) is 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride is Cl.Cn1cc(N2CCC(NC(=O)CCCCCCN)C2=O)cn1.
What is the InChIKey of 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
The InChIKey is SNQYZWKNOHAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.ClH/c1-19-11-12(10-17-19)20-9-7-13(15(20)22)18-14(21)6-4-2-3-5-8-16;/h10-11,13H,2-9,16H2,1H3,(H,18,21);1H.
What are the key properties of 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119795297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).