1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol

C11H22N4O2 — CID 66012143

IUPAC1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H22N4O2/c1-7(2)10-9(12)11(15(3)14-10)13-5-8(16)6-17-4/h7-8,13,16H,5-6,12H2,1-4H3
InChIKeyKKFWLZDAAQTZMF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds6

About 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol

1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol (PubChem CID 66012143) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
PubChem CID66012143
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H22N4O2/c1-7(2)10-9(12)11(15(3)14-10)13-5-8(16)6-17-4/h7-8,13,16H,5-6,12H2,1-4H3
InChIKeyKKFWLZDAAQTZMF-UHFFFAOYSA-N
XLogP0.54
TPSA85.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
CID 114146037
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66019007
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide
CID 66018194
5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 114118785
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780
3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylpentan-1-ol
CID 106166926
(2S)-2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248049
3-[2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]ethyl]-1,1-dimethylurea
CID 83116434
5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 114099110

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol (CID 66012143) is 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is KKFWLZDAAQTZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-7(2)10-9(12)11(15(3)14-10)13-5-8(16)6-17-4/h7-8,13,16H,5-6,12H2,1-4H3.
What are the key properties of 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol?
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 66012143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).