1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine

C16H30N6O2 — CID 71876056

IUPAC1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCOCC(C)N/C(=N\Cc1ccn[nH]1)NCCCN1CCOCC1
InChIInChI=1S/C16H30N6O2/c1-14(13-23-2)20-16(18-12-15-4-6-19-21-15)17-5-3-7-22-8-10-24-11-9-22/h4,6,14H,3,5,7-13H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyARJZOVRFAFYINS-UHFFFAOYSA-N
MW338.46 g/mol
LogP0.20
Rot. Bonds9

About 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine

1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 71876056) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID71876056
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC Name1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCOCC(C)N/C(=N\Cc1ccn[nH]1)NCCCN1CCOCC1
InChIInChI=1S/C16H30N6O2/c1-14(13-23-2)20-16(18-12-15-4-6-19-21-15)17-5-3-7-22-8-10-24-11-9-22/h4,6,14H,3,5,7-13H2,1-2H3,(H,19,21)(H2,17,18,20)
InChIKeyARJZOVRFAFYINS-UHFFFAOYSA-N
XLogP0.20
TPSA86.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 110972851
1-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070163
1-amino-3-(1-methoxypropan-2-yl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 104883471
1-butan-2-yl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110944358
1-amino-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-ylethyl)guanidine
CID 104883090
4-[3-(1H-pyrazol-5-yl)propyl]morpholine
CID 67651050
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methylhexan-2-yl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111203849
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(6-methylheptan-2-yl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111173044
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-heptan-2-yl-3-(3-morpholin-4-ylpropyl)guanidine
CID 111195398
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111237371
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111237369
1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972984

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine (CID 71876056) is 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine is COCC(C)N/C(=N\Cc1ccn[nH]1)NCCCN1CCOCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is ARJZOVRFAFYINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O2/c1-14(13-23-2)20-16(18-12-15-4-6-19-21-15)17-5-3-7-22-8-10-24-11-9-22/h4,6,14H,3,5,7-13H2,1-2H3,(H,19,21)(H2,17,18,20).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 338.46 g/mol, XLogP of 0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 71876056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).