N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine

C16H29N3 — CID 43648067

IUPACN-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C16H29N3/c1-4-5-6-7-8-11-19-14(3)16(13(2)18-19)12-17-15-9-10-15/h15,17H,4-12H2,1-3H3
InChIKeyNSQPDHDCOOYYIQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.72
Rot. Bonds9

About N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine

N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 43648067) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID43648067
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C16H29N3/c1-4-5-6-7-8-11-19-14(3)16(13(2)18-19)12-17-15-9-10-15/h15,17H,4-12H2,1-3H3
InChIKeyNSQPDHDCOOYYIQ-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.72
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-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
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-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine (CID 43648067) is N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine is CCCCCCCn1nc(C)c(CNC2CC2)c1C.
What is the InChIKey of N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is NSQPDHDCOOYYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-5-6-7-8-11-19-14(3)16(13(2)18-19)12-17-15-9-10-15/h15,17H,4-12H2,1-3H3.
What are the key properties of N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 263.43 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43648067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).