N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine

C17H31N3 — CID 66440336

IUPACN-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1C1CCCCCC1
InChIInChI=1S/C17H31N3/c1-4-9-17-15(12-18-14(2)3)13-19-20(17)16-10-7-5-6-8-11-16/h13-14,16,18H,4-12H2,1-3H3
InChIKeyDEODNDGTKPRZRF-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.23
Rot. Bonds6

About N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 66440336) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID66440336
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)cnn1C1CCCCCC1
InChIInChI=1S/C17H31N3/c1-4-9-17-15(12-18-14(2)3)13-19-20(17)16-10-7-5-6-8-11-16/h13-14,16,18H,4-12H2,1-3H3
InChIKeyDEODNDGTKPRZRF-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440539
N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440544
N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441750
N-[(1-cyclopentyl-5-ethylpyrazol-4-yl)methyl]cyclopropanamine
CID 66441337
1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 66442749
1-cycloheptyl-5-propylpyrazole-4-carboxylic acid
CID 61272610
4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole
CID 66438608
N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441544
N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441388
N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080
1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine
CID 61270593
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440323

Frequently Asked Questions

What is the IUPAC name of N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine (CID 66440336) is N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)cnn1C1CCCCCC1.
What is the InChIKey of N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is DEODNDGTKPRZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-9-17-15(12-18-14(2)3)13-19-20(17)16-10-7-5-6-8-11-16/h13-14,16,18H,4-12H2,1-3H3.
What are the key properties of N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66440336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).