N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide

C17H25N5O — CID 95384960

IUPACN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1
InChIInChI=1S/C17H25N5O/c1-12-8-9-21(20-12)11-16(23)19-14-6-5-7-15-13(14)10-18-22(15)17(2,3)4/h8-10,14H,5-7,11H2,1-4H3,(H,19,23)/t14-/m0/s1
InChIKeyOVPQRWPKHFFLRH-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.34
Rot. Bonds3

About N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide

N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 95384960) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID95384960
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1
InChIInChI=1S/C17H25N5O/c1-12-8-9-21(20-12)11-16(23)19-14-6-5-7-15-13(14)10-18-22(15)17(2,3)4/h8-10,14H,5-7,11H2,1-4H3,(H,19,23)/t14-/m0/s1
InChIKeyOVPQRWPKHFFLRH-AWEZNQCLSA-N
XLogP2.34
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 56731356
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 124742117
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 94379747
2-(3-methylpyrazol-1-yl)-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95384913
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 52514919
2-(3-methylpyrazol-1-yl)-N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 56731455
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[(S)-methylsulfinyl]benzamide
CID 94669043
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 25283597
(2S,3R)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94137013

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide (CID 95384960) is N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1.
What is the InChIKey of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is OVPQRWPKHFFLRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-8-9-21(20-12)11-16(23)19-14-6-5-7-15-13(14)10-18-22(15)17(2,3)4/h8-10,14H,5-7,11H2,1-4H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 95384960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).