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

C12H21N5O2 — CID 66051784

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H21N5O2/c1-7-10(11(13)15-14-7)12(19)17-6-9(18)4-8(17)5-16(2)3/h8-9,18H,4-6H2,1-3H3,(H3,13,14,15)
InChIKeyQEEODYSIPQDZGF-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.56
Rot. Bonds3

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

(3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66051784) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID66051784
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H21N5O2/c1-7-10(11(13)15-14-7)12(19)17-6-9(18)4-8(17)5-16(2)3/h8-9,18H,4-6H2,1-3H3,(H3,13,14,15)
InChIKeyQEEODYSIPQDZGF-UHFFFAOYSA-N
XLogP-0.56
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (CID 66051784) is (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is Cc1[nH]nc(N)c1C(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QEEODYSIPQDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-7-10(11(13)15-14-7)12(19)17-6-9(18)4-8(17)5-16(2)3/h8-9,18H,4-6H2,1-3H3,(H3,13,14,15).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 267.33 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66051784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).