2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol

C9H17N3O2 — CID 114558108

IUPAC2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
SMILESCCCn1nccc1C(O)C(N)CO
InChIInChI=1S/C9H17N3O2/c1-2-5-12-8(3-4-11-12)9(14)7(10)6-13/h3-4,7,9,13-14H,2,5-6,10H2,1H3
InChIKeyCRUZWRBEFKYQSY-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.35
Rot. Bonds5

About 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol

2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol (PubChem CID 114558108) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
PubChem CID114558108
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
SMILESCCCn1nccc1C(O)C(N)CO
InChIInChI=1S/C9H17N3O2/c1-2-5-12-8(3-4-11-12)9(14)7(10)6-13/h3-4,7,9,13-14H,2,5-6,10H2,1H3
InChIKeyCRUZWRBEFKYQSY-UHFFFAOYSA-N
XLogP-0.35
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116710992
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116713015
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid
CID 114556287
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanamine
CID 63976828

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol (CID 114558108) is 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol is CCCn1nccc1C(O)C(N)CO.
What is the InChIKey of 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol?
The InChIKey is CRUZWRBEFKYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-5-12-8(3-4-11-12)9(14)7(10)6-13/h3-4,7,9,13-14H,2,5-6,10H2,1H3.
What are the key properties of 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol?
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol has a molecular weight of 199.25 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol is sourced from PubChem (CID 114558108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).