N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine

C18H33N3 — CID 43648066

IUPACN-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCCCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C18H33N3/c1-4-5-6-7-8-9-10-13-21-16(3)18(15(2)20-21)14-19-17-11-12-17/h17,19H,4-14H2,1-3H3
InChIKeyKKOAQBKBEWVRER-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.50
Rot. Bonds11

About N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine

N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 43648066) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID43648066
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCCCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C18H33N3/c1-4-5-6-7-8-9-10-13-21-16(3)18(15(2)20-21)14-19-17-11-12-17/h17,19H,4-14H2,1-3H3
InChIKeyKKOAQBKBEWVRER-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
N-[[1-(3-imidazol-1-ylpropyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 61493166
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55110647
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
CID 61489671
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
N-[[3,5-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 107913059
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine (CID 43648066) is N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine is CCCCCCCCCn1nc(C)c(CNC2CC2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is KKOAQBKBEWVRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-5-6-7-8-9-10-13-21-16(3)18(15(2)20-21)14-19-17-11-12-17/h17,19H,4-14H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 291.48 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43648066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).