1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol

C13H23N3O2 — CID 110010368

IUPAC1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(O)COCC1CC1
InChIInChI=1S/C13H23N3O2/c1-9(13-6-15-16-10(13)2)14-5-12(17)8-18-7-11-3-4-11/h6,9,11-12,14,17H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyGPOOBMAGPZQAPZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.16
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol

1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol (PubChem CID 110010368) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
PubChem CID110010368
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(O)COCC1CC1
InChIInChI=1S/C13H23N3O2/c1-9(13-6-15-16-10(13)2)14-5-12(17)8-18-7-11-3-4-11/h6,9,11-12,14,17H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyGPOOBMAGPZQAPZ-UHFFFAOYSA-N
XLogP1.16
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404785
1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 110010314
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 60760036
(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
CID 95357731
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]-3-fluorobenzonitrile
CID 110028596
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
CID 110911157
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
CID 115971740
1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938520
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol (CID 110010368) is 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol is Cc1[nH]ncc1C(C)NCC(O)COCC1CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is GPOOBMAGPZQAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(13-6-15-16-10(13)2)14-5-12(17)8-18-7-11-3-4-11/h6,9,11-12,14,17H,3-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 110010368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).