N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid

C15H26N4O3 — CID 154910174

IUPACN-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid
SMILESCCN(CC)CC1(NC(=O)CCc2cn[nH]c2)CC1.O=CO
InChIInChI=1S/C14H24N4O.CH2O2/c1-3-18(4-2)11-14(7-8-14)17-13(19)6-5-12-9-15-16-10-12;2-1-3/h9-10H,3-8,11H2,1-2H3,(H,15,16)(H,17,19);1H,(H,2,3)
InChIKeyFBJZMBKPHNXJBD-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.03
Rot. Bonds8

About N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid

N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid (PubChem CID 154910174) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid.

Molecular Properties

Compound NameN-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid
PubChem CID154910174
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid
SMILESCCN(CC)CC1(NC(=O)CCc2cn[nH]c2)CC1.O=CO
InChIInChI=1S/C14H24N4O.CH2O2/c1-3-18(4-2)11-14(7-8-14)17-13(19)6-5-12-9-15-16-10-12;2-1-3/h9-10H,3-8,11H2,1-2H3,(H,15,16)(H,17,19);1H,(H,2,3)
InChIKeyFBJZMBKPHNXJBD-UHFFFAOYSA-N
XLogP1.03
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid?
The IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid (CID 154910174) is N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid.
What is the SMILES notation for N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid?
The canonical SMILES for N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid is CCN(CC)CC1(NC(=O)CCc2cn[nH]c2)CC1.O=CO.
What is the InChIKey of N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid?
The InChIKey is FBJZMBKPHNXJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.CH2O2/c1-3-18(4-2)11-14(7-8-14)17-13(19)6-5-12-9-15-16-10-12;2-1-3/h9-10H,3-8,11H2,1-2H3,(H,15,16)(H,17,19);1H,(H,2,3).
What are the key properties of N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid?
N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid has a molecular weight of 310.40 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid is sourced from PubChem (CID 154910174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).