(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol

C13H24N4O — CID 95893861

IUPAC(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol
SMILESCc1n[nH]c(C)c1CCCNC[C@@]1(O)CCNC1
InChIInChI=1S/C13H24N4O/c1-10-12(11(2)17-16-10)4-3-6-14-8-13(18)5-7-15-9-13/h14-15,18H,3-9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyKLSBFWYSHMLJFR-ZDUSSCGKSA-N
MW252.36 g/mol
LogP0.27
Rot. Bonds6

About (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol

(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol (PubChem CID 95893861) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol
PubChem CID95893861
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol
SMILESCc1n[nH]c(C)c1CCCNC[C@@]1(O)CCNC1
InChIInChI=1S/C13H24N4O/c1-10-12(11(2)17-16-10)4-3-6-14-8-13(18)5-7-15-9-13/h14-15,18H,3-9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyKLSBFWYSHMLJFR-ZDUSSCGKSA-N
XLogP0.27
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 121499826
(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 95895160
3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154894218
3-[[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 70786098
(3R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95720834
3-[[3-(4-hydroxyphenyl)propylamino]methyl]piperidin-3-ol
CID 70767220
4-[(pentylamino)methyl]piperidin-4-ol
CID 95438274
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 118765598
3-[[3-(2-amino-1,3-thiazol-4-yl)propylamino]methyl]piperidin-3-ol;dihydrochloride
CID 154893874
3-[[2-(2-chlorophenyl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154924889
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717149
3-[[2-(4-phenylpyrimidin-2-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 70779327

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol (CID 95893861) is (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol is Cc1n[nH]c(C)c1CCCNC[C@@]1(O)CCNC1.
What is the InChIKey of (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol?
The InChIKey is KLSBFWYSHMLJFR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-12(11(2)17-16-10)4-3-6-14-8-13(18)5-7-15-9-13/h14-15,18H,3-9H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol?
(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol has a molecular weight of 252.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 95893861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).