N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine

C19H29N5O — CID 154761202

IUPACN-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNCc1ccnn1C1CCCC1
InChIInChI=1S/C19H29N5O/c1-23-11-10-21-19(23)18-15(5-4-12-25-18)13-20-14-17-8-9-22-24(17)16-6-2-3-7-16/h8-11,15-16,18,20H,2-7,12-14H2,1H3/t15-,18+/m0/s1
InChIKeyDASXZXIKEGTQNL-MAUKXSAKSA-N
MW343.48 g/mol
LogP2.99
Rot. Bonds6

About N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine

N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine (PubChem CID 154761202) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
PubChem CID154761202
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNCc1ccnn1C1CCCC1
InChIInChI=1S/C19H29N5O/c1-23-11-10-21-19(23)18-15(5-4-12-25-18)13-20-14-17-8-9-22-24(17)16-6-2-3-7-16/h8-11,15-16,18,20H,2-7,12-14H2,1H3/t15-,18+/m0/s1
InChIKeyDASXZXIKEGTQNL-MAUKXSAKSA-N
XLogP2.99
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 154802200
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154762348
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154800917
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 154761426
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154761428
1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
CID 154761785
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
CID 167941440
6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
CID 154761375
(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129474459

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
The IUPAC name of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine (CID 154761202) is N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine.
What is the SMILES notation for N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
The canonical SMILES for N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine is Cn1ccnc1[C@@H]1OCCC[C@H]1CNCc1ccnn1C1CCCC1.
What is the InChIKey of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
The InChIKey is DASXZXIKEGTQNL-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H29N5O/c1-23-11-10-21-19(23)18-15(5-4-12-25-18)13-20-14-17-8-9-22-24(17)16-6-2-3-7-16/h8-11,15-16,18,20H,2-7,12-14H2,1H3/t15-,18+/m0/s1.
What are the key properties of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine?
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine has a molecular weight of 343.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 154761202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).