N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C16H25N3O2 — CID 136586822

IUPACN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NC[C@]12CCC[C@H]1OCC2
InChIInChI=1S/C16H25N3O2/c1-11-13(12(2)19-18-11)5-6-15(20)17-10-16-7-3-4-14(16)21-9-8-16/h14H,3-10H2,1-2H3,(H,17,20)(H,18,19)/t14-,16-/m1/s1
InChIKeyLFMIYQJUGQULEG-GDBMZVCRSA-N
MW291.39 g/mol
LogP2.03
Rot. Bonds5

About N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 136586822) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID136586822
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NC[C@]12CCC[C@H]1OCC2
InChIInChI=1S/C16H25N3O2/c1-11-13(12(2)19-18-11)5-6-15(20)17-10-16-7-3-4-14(16)21-9-8-16/h14H,3-10H2,1-2H3,(H,17,20)(H,18,19)/t14-,16-/m1/s1
InChIKeyLFMIYQJUGQULEG-GDBMZVCRSA-N
XLogP2.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 136586822) is N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1CCC(=O)NC[C@]12CCC[C@H]1OCC2.
What is the InChIKey of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is LFMIYQJUGQULEG-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-13(12(2)19-18-11)5-6-15(20)17-10-16-7-3-4-14(16)21-9-8-16/h14H,3-10H2,1-2H3,(H,17,20)(H,18,19)/t14-,16-/m1/s1.
What are the key properties of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 136586822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).