N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide

C18H31N3O2 — CID 176629618

IUPACN-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide
SMILESCC(C)C1CC(OCCCN(C)C(=O)c2cnn(C(C)C)c2)C1
InChIInChI=1S/C18H31N3O2/c1-13(2)15-9-17(10-15)23-8-6-7-20(5)18(22)16-11-19-21(12-16)14(3)4/h11-15,17H,6-10H2,1-5H3
InChIKeyDLZDHQYLTUBNQT-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.38
Rot. Bonds8

About N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide

N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide (PubChem CID 176629618) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide
PubChem CID176629618
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide
SMILESCC(C)C1CC(OCCCN(C)C(=O)c2cnn(C(C)C)c2)C1
InChIInChI=1S/C18H31N3O2/c1-13(2)15-9-17(10-15)23-8-6-7-20(5)18(22)16-11-19-21(12-16)14(3)4/h11-15,17H,6-10H2,1-5H3
InChIKeyDLZDHQYLTUBNQT-UHFFFAOYSA-N
XLogP3.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide (CID 176629618) is N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide is CC(C)C1CC(OCCCN(C)C(=O)c2cnn(C(C)C)c2)C1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide?
The InChIKey is DLZDHQYLTUBNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13(2)15-9-17(10-15)23-8-6-7-20(5)18(22)16-11-19-21(12-16)14(3)4/h11-15,17H,6-10H2,1-5H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide?
N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[3-(3-propan-2-ylcyclobutyl)oxypropyl]pyrazole-4-carboxamide is sourced from PubChem (CID 176629618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).