2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine

C18H27N5 — CID 111343485

IUPAC2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine
SMILESC/N=C(\NCCCn1cc(C)cn1)NCC(C)c1ccccc1
InChIInChI=1S/C18H27N5/c1-15-12-22-23(14-15)11-7-10-20-18(19-3)21-13-16(2)17-8-5-4-6-9-17/h4-6,8-9,12,14,16H,7,10-11,13H2,1-3H3,(H2,19,20,21)
InChIKeyGURVSCPWUIVHGW-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.55
Rot. Bonds7

About 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine

2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine (PubChem CID 111343485) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine
PubChem CID111343485
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine
SMILESC/N=C(\NCCCn1cc(C)cn1)NCC(C)c1ccccc1
InChIInChI=1S/C18H27N5/c1-15-12-22-23(14-15)11-7-10-20-18(19-3)21-13-16(2)17-8-5-4-6-9-17/h4-6,8-9,12,14,16H,7,10-11,13H2,1-3H3,(H2,19,20,21)
InChIKeyGURVSCPWUIVHGW-UHFFFAOYSA-N
XLogP2.55
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702773
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198801
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(3-phenoxypropyl)guanidine
CID 111418875
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111760021
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111768662
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111686118
2-methyl-1-(2-phenylpropyl)-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111516440
2-methyl-1-(5-methylhexan-2-yl)-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111203428
2-methyl-1-[(3-methylphenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111900843
2-methyl-1-[4-(4-methylpiperazin-1-yl)butyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342762
1-[3-(4-methylpyrazol-1-yl)propyl]-3-(1-phenylethyl)thiourea
CID 19572963
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine (CID 111343485) is 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine is C/N=C(\NCCCn1cc(C)cn1)NCC(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine?
The InChIKey is GURVSCPWUIVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-15-12-22-23(14-15)11-7-10-20-18(19-3)21-13-16(2)17-8-5-4-6-9-17/h4-6,8-9,12,14,16H,7,10-11,13H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine?
2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine has a molecular weight of 313.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-methylpyrazol-1-yl)propyl]-3-(2-phenylpropyl)guanidine is sourced from PubChem (CID 111343485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).