3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride

C16H21ClN4O — CID 119951600

IUPAC3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCCc2cn[nH]c21)c1ccccc1
InChIInChI=1S/C16H20N4O.ClH/c17-13(11-5-2-1-3-6-11)9-15(21)19-14-8-4-7-12-10-18-20-16(12)14;/h1-3,5-6,10,13-14H,4,7-9,17H2,(H,18,20)(H,19,21);1H
InChIKeyZLPXSLKIIUKOIK-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride

3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride (PubChem CID 119951600) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
PubChem CID119951600
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCCc2cn[nH]c21)c1ccccc1
InChIInChI=1S/C16H20N4O.ClH/c17-13(11-5-2-1-3-6-11)9-15(21)19-14-8-4-7-12-10-18-20-16(12)14;/h1-3,5-6,10,13-14H,4,7-9,17H2,(H,18,20)(H,19,21);1H
InChIKeyZLPXSLKIIUKOIK-UHFFFAOYSA-N
XLogP2.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
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1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119949454
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
CID 119787817
2-(3-fluorophenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 118740682
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769
4-(methylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)butanamide
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3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride (CID 119951600) is 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride is Cl.NC(CC(=O)NC1CCCc2cn[nH]c21)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride?
The InChIKey is ZLPXSLKIIUKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c17-13(11-5-2-1-3-6-11)9-15(21)19-14-8-4-7-12-10-18-20-16(12)14;/h1-3,5-6,10,13-14H,4,7-9,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride?
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride is sourced from PubChem (CID 119951600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).