3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide

C13H17N5O — CID 127463043

IUPAC3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
SMILESO=C(CCn1ccnc1)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C13H17N5O/c19-13(3-5-18-6-4-14-9-18)16-11-2-1-10-8-15-17-12(10)7-11/h4,6,8-9,11H,1-3,5,7H2,(H,15,17)(H,16,19)
InChIKeyMBKBDPJIZKJIMA-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.67
Rot. Bonds4

About 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide

3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide (PubChem CID 127463043) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
PubChem CID127463043
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
SMILESO=C(CCn1ccnc1)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C13H17N5O/c19-13(3-5-18-6-4-14-9-18)16-11-2-1-10-8-15-17-12(10)7-11/h4,6,8-9,11H,1-3,5,7H2,(H,15,17)(H,16,19)
InChIKeyMBKBDPJIZKJIMA-UHFFFAOYSA-N
XLogP0.67
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 131913662
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
CID 126821504
2-[1-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-6-ylamino)ethyl]cyclohexyl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 166218088
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
CID 104957006
N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide
CID 63251221
N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124860523
3-imidazol-1-yl-N-(4-methylpyrrolidin-3-yl)propanamide
CID 104826173
1-(1-pyridin-2-ylpiperidin-4-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 127461155
2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
CID 126451545
N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124738271

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide (CID 127463043) is 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide is O=C(CCn1ccnc1)NC1CCc2cn[nH]c2C1.
What is the InChIKey of 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
The InChIKey is MBKBDPJIZKJIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(3-5-18-6-4-14-9-18)16-11-2-1-10-8-15-17-12(10)7-11/h4,6,8-9,11H,1-3,5,7H2,(H,15,17)(H,16,19).
What are the key properties of 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide?
3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide is sourced from PubChem (CID 127463043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).