N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine

C16H23N5O — CID 167974128

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
SMILESCCn1nccc1CNCc1ccncc1O[C@H]1CCNC1
InChIInChI=1S/C16H23N5O/c1-2-21-14(4-8-20-21)10-19-9-13-3-6-18-12-16(13)22-15-5-7-17-11-15/h3-4,6,8,12,15,17,19H,2,5,7,9-11H2,1H3/t15-/m0/s1
InChIKeyRKTQYYHYNXCTQX-HNNXBMFYSA-N
MW301.39 g/mol
LogP1.33
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine

N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine (PubChem CID 167974128) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
PubChem CID167974128
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
SMILESCCn1nccc1CNCc1ccncc1O[C@H]1CCNC1
InChIInChI=1S/C16H23N5O/c1-2-21-14(4-8-20-21)10-19-9-13-3-6-18-12-16(13)22-15-5-7-17-11-15/h3-4,6,8,12,15,17,19H,2,5,7,9-11H2,1H3/t15-/m0/s1
InChIKeyRKTQYYHYNXCTQX-HNNXBMFYSA-N
XLogP1.33
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine with MolForge

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Related Compounds

N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
CID 154771306
3-chloro-4-pyrrolidin-3-yloxypyridine
CID 79840362
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 154768069
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761553
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
N-[[3-(3-ethylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105075716
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767944
1-ethyl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
CID 104939864

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine (CID 167974128) is N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine is CCn1nccc1CNCc1ccncc1O[C@H]1CCNC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is RKTQYYHYNXCTQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-2-21-14(4-8-20-21)10-19-9-13-3-6-18-12-16(13)22-15-5-7-17-11-15/h3-4,6,8,12,15,17,19H,2,5,7,9-11H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 167974128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).