N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide

C24H41N5O — CID 110195750

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
SMILESCCn1cc(CN(C)C(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C)[C@@H]34)c(C)n1
InChIInChI=1S/C24H41N5O/c1-5-29-17-20(18(2)25-29)16-27(4)23(30)12-6-11-22-21-10-8-14-28-13-7-9-19(24(21)28)15-26(22)3/h17,19,21-22,24H,5-16H2,1-4H3/t19-,21+,22+,24-/m0/s1
InChIKeyZLPIQUGROJSQHC-BQUSRXHISA-N
MW415.63 g/mol
LogP3.14
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide (PubChem CID 110195750) has the molecular formula C24H41N5O and a molecular weight of 415.63 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
PubChem CID110195750
Molecular FormulaC24H41N5O
Molecular Weight415.63 g/mol
Exact Mass415.33
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
SMILESCCn1cc(CN(C)C(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C)[C@@H]34)c(C)n1
InChIInChI=1S/C24H41N5O/c1-5-29-17-20(18(2)25-29)16-27(4)23(30)12-6-11-22-21-10-8-14-28-13-7-9-19(24(21)28)15-26(22)3/h17,19,21-22,24H,5-16H2,1-4H3/t19-,21+,22+,24-/m0/s1
InChIKeyZLPIQUGROJSQHC-BQUSRXHISA-N
XLogP3.14
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide (CID 110195750) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide is CCn1cc(CN(C)C(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C)[C@@H]34)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The InChIKey is ZLPIQUGROJSQHC-BQUSRXHISA-N. The full InChI is InChI=1S/C24H41N5O/c1-5-29-17-20(18(2)25-29)16-27(4)23(30)12-6-11-22-21-10-8-14-28-13-7-9-19(24(21)28)15-26(22)3/h17,19,21-22,24H,5-16H2,1-4H3/t19-,21+,22+,24-/m0/s1.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide has a molecular weight of 415.63 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide is sourced from PubChem (CID 110195750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).