(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

C14H25N5O2 — CID 66055980

IUPAC(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CC(O)CC2CN(C)C)c1N
InChIInChI=1S/C14H25N5O2/c1-8(2)12-11(15)13(17-16-12)14(21)19-7-10(20)5-9(19)6-18(3)4/h8-10,20H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyUJLXAGJFDSOKEH-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.25
Rot. Bonds4

About (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66055980) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID66055980
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CC(O)CC2CN(C)C)c1N
InChIInChI=1S/C14H25N5O2/c1-8(2)12-11(15)13(17-16-12)14(21)19-7-10(20)5-9(19)6-18(3)4/h8-10,20H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyUJLXAGJFDSOKEH-UHFFFAOYSA-N
XLogP0.25
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (CID 66055980) is (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is CC(C)c1[nH]nc(C(=O)N2CC(O)CC2CN(C)C)c1N.
What is the InChIKey of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is UJLXAGJFDSOKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-8(2)12-11(15)13(17-16-12)14(21)19-7-10(20)5-9(19)6-18(3)4/h8-10,20H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 295.39 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66055980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).