(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C14H25N5O — CID 125143066

IUPAC(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CC[C@H](CN(C)C)C2)cn1
InChIInChI=1S/C14H25N5O/c1-4-19-11-13(8-16-19)7-15-14(20)18-6-5-12(10-18)9-17(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,20)/t12-/m1/s1
InChIKeyAOXBVUQAQGTQDY-GFCCVEGCSA-N
MW279.39 g/mol
LogP1.00
Rot. Bonds5

About (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 125143066) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID125143066
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CC[C@H](CN(C)C)C2)cn1
InChIInChI=1S/C14H25N5O/c1-4-19-11-13(8-16-19)7-15-14(20)18-6-5-12(10-18)9-17(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,20)/t12-/m1/s1
InChIKeyAOXBVUQAQGTQDY-GFCCVEGCSA-N
XLogP1.00
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 128682443
1-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123820
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
N-[(1-ethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128682445
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
(3S)-3-[(dimethylamino)methyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99627252
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 125143066) is (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CCn1cc(CNC(=O)N2CC[C@H](CN(C)C)C2)cn1.
What is the InChIKey of (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is AOXBVUQAQGTQDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-19-11-13(8-16-19)7-15-14(20)18-6-5-12(10-18)9-17(2)3/h8,11-12H,4-7,9-10H2,1-3H3,(H,15,20)/t12-/m1/s1.
What are the key properties of (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 125143066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).