[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

C14H24N4O2 — CID 72909877

IUPAC[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cnn1C
InChIInChI=1S/C14H24N4O2/c1-10-13(5-15-17(10)4)14(20)18-7-11(6-16(2)3)12(8-18)9-19/h5,11-12,19H,6-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyJYQVUEFVJMHYGX-VXGBXAGGSA-N
MW280.37 g/mol
LogP-0.03
Rot. Bonds4

About [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 72909877) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID72909877
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cnn1C
InChIInChI=1S/C14H24N4O2/c1-10-13(5-15-17(10)4)14(20)18-7-11(6-16(2)3)12(8-18)9-19/h5,11-12,19H,6-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyJYQVUEFVJMHYGX-VXGBXAGGSA-N
XLogP-0.03
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone with MolForge

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Related Compounds

1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70738191
1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide
CID 110127419
[(3R*,5R*)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70719278
[(3R*,5R*)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-5-(1-pyrrolidinylmethyl)-3-piperidinyl]methanol
CID 72894759
(3S,4S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 110203563
1,3-Dimethyl-N-(3-(2-oxopyrrolidin-1-yl)propyl)-1H-pyrazole-4-carboxamide
CID 42352840
N-cyclopropyl-1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 45823895
N-(cyclopropylmethyl)-N-(2-methoxyethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72873698
4-{[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-5-methyl-1-propyl-1H-pyrazole
CID 72887191
2-{4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethanol
CID 72891925

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (CID 72909877) is [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cnn1C.
What is the InChIKey of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is JYQVUEFVJMHYGX-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-13(5-15-17(10)4)14(20)18-7-11(6-16(2)3)12(8-18)9-19/h5,11-12,19H,6-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 72909877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).